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Surbhi Soni - One of the best experts on this subject based on the ideXlab platform.
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Interaction of Aqueous Solution of Sulphamethoxazole Drug with Diglycine by Volumetric Method at Different Temperatures
Zeitschrift für Physikalische Chemie, 2015Co-Authors: Amalendu Pal, Surbhi SoniAbstract:AbstractThe interaction of Diglycine with sulphamethoxazole drug as a function of temperature and concentration have been investigated by volumetric method. The density of ternary mixture of Diglycine (0.002–0.01 mol · kg
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volumetric approach to the interaction of Diglycine in aqueous solutions of sulpha drugs at t 288 15 308 15k
Fluid Phase Equilibria, 2012Co-Authors: Amalendu Pal, Surbhi SoniAbstract:Abstract Densities, ρ, were measured for ternary mixture of Diglycine in aqueous of (0.01, 0.02, 0.03, and 0.04) mol kg−1 sulphanilamide (SAM), sulphanilic acid (SAN), and sulphosalicylic (SSAD) acid dihydrate at T = 288.15–308.15 K, using vibrating tube digital densimeter. Apparent molar volume, V ϕ , has been determined from the experimental densities and the least-square fitting was carried out for the calculation of limiting apparent molar volumes values V ϕ 0 , and the increase in the V ϕ 0 values has the following order in the investigated system: SAN V ϕ 0 values indicate that Diglycine–SSAD interactions are stronger than the other two drugs. These data were used to calculate the transfer Δ t r V ϕ 0 values of partial molar volumes. Transfer parameters have been interpreted from the point of view of concentration dependence of solute–solute and solute–solvent interactions. The limiting apparent molar expansibility E ϕ 0 values for Diglycine in aqueous solution of drugs have positive value and decrease with rise of temperature. The calculated values of thermal expansion coefficient, α 2 , have small and positive values whereas the values of Hepler's constant, ∂ 2 V ϕ 0 / ∂ T 2 , have positive value except with SSAD. Hydration numbers have also been determined. The variation of these parameters with concentration and temperature clearly suggests the roles of Diglycine and sulpha drugs in solute–solvent interactions.
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Volumetric approach to the interaction of Diglycine in aqueous solutions of sulpha drugs at T = 288.15―308.15K
Fluid Phase Equilibria, 2012Co-Authors: Amalendu Pal, Surbhi SoniAbstract:Abstract Densities, ρ, were measured for ternary mixture of Diglycine in aqueous of (0.01, 0.02, 0.03, and 0.04) mol kg−1 sulphanilamide (SAM), sulphanilic acid (SAN), and sulphosalicylic (SSAD) acid dihydrate at T = 288.15–308.15 K, using vibrating tube digital densimeter. Apparent molar volume, V ϕ , has been determined from the experimental densities and the least-square fitting was carried out for the calculation of limiting apparent molar volumes values V ϕ 0 , and the increase in the V ϕ 0 values has the following order in the investigated system: SAN V ϕ 0 values indicate that Diglycine–SSAD interactions are stronger than the other two drugs. These data were used to calculate the transfer Δ t r V ϕ 0 values of partial molar volumes. Transfer parameters have been interpreted from the point of view of concentration dependence of solute–solute and solute–solvent interactions. The limiting apparent molar expansibility E ϕ 0 values for Diglycine in aqueous solution of drugs have positive value and decrease with rise of temperature. The calculated values of thermal expansion coefficient, α 2 , have small and positive values whereas the values of Hepler's constant, ∂ 2 V ϕ 0 / ∂ T 2 , have positive value except with SSAD. Hydration numbers have also been determined. The variation of these parameters with concentration and temperature clearly suggests the roles of Diglycine and sulpha drugs in solute–solvent interactions.
Mimoza Gjikaj - One of the best experts on this subject based on the ideXlab platform.
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crystal structure and hirshfeld surface analysis of μ 2 4 carboxyl atometh yl carbamo yl benz amido acetato κ2o o bis bis 1 10 phenanthroline κ2n n copper ii dinitrate n n 1 4 phenyl enedicarbon yl Diglycine monosolvate octa hydrate
Acta Crystallographica Section E: Crystallographic Communications, 2019Co-Authors: Niels-patrick Pook, Arnold Adam, Mimoza GjikajAbstract:The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII atom with a distorted trigonal-bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule, which is located on a centre of inversion, by one nitrate counter-anion and four water mol-ecules. In the crystal, the cationic complexes are linked via inter-molecular π-π stacking and through lone-pair⋯π inter-actions involving the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion and the phenanthroline ligands. The N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule is involved in classical and non-classical hydrogen-bonding inter-actions, as well as π-π stacking inter-actions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)-4.3673 (4) A. The crystal structure is stabilized by further C-H⋯O contacts as well as by O-H⋯O and N-H⋯O hydrogen bonds between water mol-ecules, the nitrate anions, the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate ligands, N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecules and phenanthroline ligands, giving rise to a supra-molecular framework. A Hirshfeld surface analysis was carried out to qu-antify these inter-actions.
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Crystal structure and Hirshfeld surface analysis of (μ-2-{4-[(carboxyl-atometh-yl)carbamo-yl]benz-amido}-acetato-κ2O:O')bis-[bis-(1,10-phenanthroline-κ2N,N')copper(II)] dinitrate N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine monosolvate octa-hydrate.
Acta Crystallographica Section E Crystallographic Communications, 2019Co-Authors: Niels-patrick Pook, Arnold Adam, Mimoza GjikajAbstract:The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII atom with a distorted trigonal-bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule, which is located on a centre of inversion, by one nitrate counter-anion and four water mol-ecules. In the crystal, the cationic complexes are linked via inter-molecular π-π stacking and through lone-pair⋯π inter-actions involving the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion and the phenanthroline ligands. The N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule is involved in classical and non-classical hydrogen-bonding inter-actions, as well as π-π stacking inter-actions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)-4.3673 (4) A. The crystal structure is stabilized by further C-H⋯O contacts as well as by O-H⋯O and N-H⋯O hydrogen bonds between water mol-ecules, the nitrate anions, the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate ligands, N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecules and phenanthroline ligands, giving rise to a supra-molecular framework. A Hirshfeld surface analysis was carried out to qu-antify these inter-actions.
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Crystal structure and Hirshfeld surface analysis of (μ-2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetato-κ2O:O′)bis[bis(1,10-phenanthroline-κ2N,N′)copper(II)] dinitrate N,N′-(1,4-phenylenedicarbonyl)Diglycine monosolvate octahydrate
International Union of Crystallography, 2019Co-Authors: Niels-patrick Pook, Arnold Adam, Mimoza GjikajAbstract:The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII atom with a distorted trigonal–bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N′-(1,4-phenylenedicarbonyl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule, which is located on a centre of inversion, by one nitrate counter-anion and four water molecules. In the crystal, the cationic complexes are linked via intermolecular π–π stacking and through lone-pair...π interactions involving the N,N′-(1,4-phenylenedicarbonyl)diglycinate anion and the phenanthroline ligands. The N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule is involved in classical and non-classical hydrogen-bonding interactions, as well as π–π stacking interactions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)–4.3673 (4) Å. The crystal structure is stabilized by further C—H...O contacts as well as by O—H...O and N—H...O hydrogen bonds between water molecules, the nitrate anions, the N,N′-(1,4-phenylenedicarbonyl)diglycinate ligands, N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecules and phenanthroline ligands, giving rise to a supramolecular framework. A Hirshfeld surface analysis was carried out to quantify these interactions
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crystal structure of bis tris 1 10 phenanthroline κ2n n cobalt ii tetra nitrate n n 1 4 phenyl enedicarbon yl Diglycine solvate octa hydrate
Acta Crystallographica Section E: Crystallographic Communications, 2015Co-Authors: Niels-patrick Pook, Philipp Hentrich, Mimoza GjikajAbstract:The complex cation of the title compound, [Co(C12H8N2)3]2(NO3)4·C12H12N2O6·8H2O, contains a CoII atom with a distorted octahedral coordination environment defined by six N atoms from three bidentate 1,10-phenanthroline ligands. The asymmetric unit of the title compound is completed by one-half of the N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule, which is located on a centre of inversion, by two nitrate counter-anions and four solvent water molecules. Two [Co(C12H8N2)3]2+ cations are connected through C—H⋯O contacts and through lone-pair⋯π interactions involving the non-coordinating N,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. The different aromatic ring systems are involved in π–π stacking and C—H⋯π interactions, with centroid-to-centroid distances in the range 3.7094 (8)–3.9973 (9) A. The crystal structure is stabilized by further anion⋯π interactions and C—H⋯O contacts, as well as O—H⋯O and N—H⋯O hydrogen bonds between water molecules, the non-coordinating nitrate anions, N,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. These non-covalent interactions give rise to a three-dimensional supramolecular network.
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Crystal structure of bis[tris(1,10-phenanthroline-κ2N,N′)cobalt(II)] tetranitrate N,N′-(1,4-phenylenedicarbonyl)Diglycine solvate octahydrate
Acta Crystallographica Section E Crystallographic Communications, 2015Co-Authors: Niels-patrick Pook, Philipp Hentrich, Mimoza GjikajAbstract:The complex cation of the title compound, [Co(C12H8N2)3]2(NO3)4·C12H12N2O6·8H2O, contains a CoIIatom with a distorted octahedral coordination environment defined by six N atoms from three bidentate 1,10-phenanthroline ligands. The asymmetric unit of the title compound is completed by one-half of theN,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule, which is located on a centre of inversion, by two nitrate counter-anions and four solvent water molecules. Two [Co(C12H8N2)3]2+cations are connected through C—H...O contacts and through lone-pair...π interactions involving the non-coordinatingN,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. The different aromatic ring systems are involved in π–π stacking and C—H...π interactions, with centroid-to-centroid distances in the range 3.7094 (8)–3.9973 (9) Å. The crystal structure is stabilized by further anion...π interactions and C—H...O contacts, as well as O—H...O and N—H...O hydrogen bonds between water molecules, the non-coordinating nitrate anions,N,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. These non-covalent interactions give rise to a three-dimensional supramolecular network.
Amalendu Pal - One of the best experts on this subject based on the ideXlab platform.
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Interaction of Aqueous Solution of Sulphamethoxazole Drug with Diglycine by Volumetric Method at Different Temperatures
Zeitschrift für Physikalische Chemie, 2015Co-Authors: Amalendu Pal, Surbhi SoniAbstract:AbstractThe interaction of Diglycine with sulphamethoxazole drug as a function of temperature and concentration have been investigated by volumetric method. The density of ternary mixture of Diglycine (0.002–0.01 mol · kg
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volumetric approach to the interaction of Diglycine in aqueous solutions of sulpha drugs at t 288 15 308 15k
Fluid Phase Equilibria, 2012Co-Authors: Amalendu Pal, Surbhi SoniAbstract:Abstract Densities, ρ, were measured for ternary mixture of Diglycine in aqueous of (0.01, 0.02, 0.03, and 0.04) mol kg−1 sulphanilamide (SAM), sulphanilic acid (SAN), and sulphosalicylic (SSAD) acid dihydrate at T = 288.15–308.15 K, using vibrating tube digital densimeter. Apparent molar volume, V ϕ , has been determined from the experimental densities and the least-square fitting was carried out for the calculation of limiting apparent molar volumes values V ϕ 0 , and the increase in the V ϕ 0 values has the following order in the investigated system: SAN V ϕ 0 values indicate that Diglycine–SSAD interactions are stronger than the other two drugs. These data were used to calculate the transfer Δ t r V ϕ 0 values of partial molar volumes. Transfer parameters have been interpreted from the point of view of concentration dependence of solute–solute and solute–solvent interactions. The limiting apparent molar expansibility E ϕ 0 values for Diglycine in aqueous solution of drugs have positive value and decrease with rise of temperature. The calculated values of thermal expansion coefficient, α 2 , have small and positive values whereas the values of Hepler's constant, ∂ 2 V ϕ 0 / ∂ T 2 , have positive value except with SSAD. Hydration numbers have also been determined. The variation of these parameters with concentration and temperature clearly suggests the roles of Diglycine and sulpha drugs in solute–solvent interactions.
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Volumetric approach to the interaction of Diglycine in aqueous solutions of sulpha drugs at T = 288.15―308.15K
Fluid Phase Equilibria, 2012Co-Authors: Amalendu Pal, Surbhi SoniAbstract:Abstract Densities, ρ, were measured for ternary mixture of Diglycine in aqueous of (0.01, 0.02, 0.03, and 0.04) mol kg−1 sulphanilamide (SAM), sulphanilic acid (SAN), and sulphosalicylic (SSAD) acid dihydrate at T = 288.15–308.15 K, using vibrating tube digital densimeter. Apparent molar volume, V ϕ , has been determined from the experimental densities and the least-square fitting was carried out for the calculation of limiting apparent molar volumes values V ϕ 0 , and the increase in the V ϕ 0 values has the following order in the investigated system: SAN V ϕ 0 values indicate that Diglycine–SSAD interactions are stronger than the other two drugs. These data were used to calculate the transfer Δ t r V ϕ 0 values of partial molar volumes. Transfer parameters have been interpreted from the point of view of concentration dependence of solute–solute and solute–solvent interactions. The limiting apparent molar expansibility E ϕ 0 values for Diglycine in aqueous solution of drugs have positive value and decrease with rise of temperature. The calculated values of thermal expansion coefficient, α 2 , have small and positive values whereas the values of Hepler's constant, ∂ 2 V ϕ 0 / ∂ T 2 , have positive value except with SSAD. Hydration numbers have also been determined. The variation of these parameters with concentration and temperature clearly suggests the roles of Diglycine and sulpha drugs in solute–solvent interactions.
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Interactions of Diglycine in Aqueous Saccharide Solutions at Varying Temperatures: A Volumetric, Ultrasonic and Viscometric Study
Journal of Solution Chemistry, 2010Co-Authors: Amalendu Pal, Nalin ChauhanAbstract:Densities, viscosities and speeds of sound were measured for ternary mixtures of Diglycine (0.05 to 0.30 mol⋅kg^−1) in 2, 4 and 6 mass-% aqueous xylose, L(-)arabinose, and D(-)ribose solutions at 288.15, 298.15 and 308.15 K and at atmospheric pressures, using a DSA 5000 instrument. The limiting apparent molar volume, limiting apparent molar adiabatic compressibility and their corresponding slopes were computed using the density and speed of sound data. Corresponding transfer functions have also been determined. The viscosity data have been analyzed on the basis of the Jones-Dole equation. The viscosity B -coefficient and Gibbs energy of activation of viscous flow per mole of solvent and solute have been evaluated. Hydration numbers, pairwise and triplet interaction coefficients have also been evaluated from these data. The variations of these parameters with concentration and temperature clearly suggest the roles of Diglycine and saccharides in solute–solvent interactions.
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Volumetric and ultrasonic studies of Diglycine in binary aqueous solutions of saccharide at 288.15, 298.15 and 308.15 K
Journal of the Indian Chemical Society, 2009Co-Authors: Amalendu Pal, Naseeb SinghAbstract:Densities, speeds of sound and viscosities of Diglycine have been measured at 288.15, 298.15 and 308.15 K in aqueous saccharides solutions ranging from 1.0 to 5.0 mass% of saccharide. The saccharides used are mannose, maltose and raffinose. From density, viscosity and speed of sound data, apparent molar volumes V ϕ , relative viscosity η r and adiabatic compressibilities K φ,s of Diglycine have been determined. The viscosity data have been analysed using the Jones-Dole equation. Partial molar volumes V φ 0 and partial molar adiabatic compressibilites K φ,s 0 of Diglycine at infinite dilution were evaluated. These values are required for calculating hydration number n H of Diglycine. Transfer volumes ΔV φ 0 , and transfer adiabatic compressibilites ΔK φ 0 from water to aqueous saccharide solutions have been calculated. The results have been discussed in terms of solute-solute and solute-solvent interactions and the structural changes of the solutes in solutions.
Niels-patrick Pook - One of the best experts on this subject based on the ideXlab platform.
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crystal structure and hirshfeld surface analysis of μ 2 4 carboxyl atometh yl carbamo yl benz amido acetato κ2o o bis bis 1 10 phenanthroline κ2n n copper ii dinitrate n n 1 4 phenyl enedicarbon yl Diglycine monosolvate octa hydrate
Acta Crystallographica Section E: Crystallographic Communications, 2019Co-Authors: Niels-patrick Pook, Arnold Adam, Mimoza GjikajAbstract:The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII atom with a distorted trigonal-bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule, which is located on a centre of inversion, by one nitrate counter-anion and four water mol-ecules. In the crystal, the cationic complexes are linked via inter-molecular π-π stacking and through lone-pair⋯π inter-actions involving the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion and the phenanthroline ligands. The N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule is involved in classical and non-classical hydrogen-bonding inter-actions, as well as π-π stacking inter-actions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)-4.3673 (4) A. The crystal structure is stabilized by further C-H⋯O contacts as well as by O-H⋯O and N-H⋯O hydrogen bonds between water mol-ecules, the nitrate anions, the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate ligands, N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecules and phenanthroline ligands, giving rise to a supra-molecular framework. A Hirshfeld surface analysis was carried out to qu-antify these inter-actions.
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Crystal structure and Hirshfeld surface analysis of (μ-2-{4-[(carboxyl-atometh-yl)carbamo-yl]benz-amido}-acetato-κ2O:O')bis-[bis-(1,10-phenanthroline-κ2N,N')copper(II)] dinitrate N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine monosolvate octa-hydrate.
Acta Crystallographica Section E Crystallographic Communications, 2019Co-Authors: Niels-patrick Pook, Arnold Adam, Mimoza GjikajAbstract:The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII atom with a distorted trigonal-bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule, which is located on a centre of inversion, by one nitrate counter-anion and four water mol-ecules. In the crystal, the cationic complexes are linked via inter-molecular π-π stacking and through lone-pair⋯π inter-actions involving the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate anion and the phenanthroline ligands. The N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecule is involved in classical and non-classical hydrogen-bonding inter-actions, as well as π-π stacking inter-actions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)-4.3673 (4) A. The crystal structure is stabilized by further C-H⋯O contacts as well as by O-H⋯O and N-H⋯O hydrogen bonds between water mol-ecules, the nitrate anions, the N,N'-(1,4-phenyl-enedicarbon-yl)diglycinate ligands, N,N'-(1,4-phenyl-enedicarbon-yl)Diglycine solvent mol-ecules and phenanthroline ligands, giving rise to a supra-molecular framework. A Hirshfeld surface analysis was carried out to qu-antify these inter-actions.
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Crystal structure and Hirshfeld surface analysis of (μ-2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetato-κ2O:O′)bis[bis(1,10-phenanthroline-κ2N,N′)copper(II)] dinitrate N,N′-(1,4-phenylenedicarbonyl)Diglycine monosolvate octahydrate
International Union of Crystallography, 2019Co-Authors: Niels-patrick Pook, Arnold Adam, Mimoza GjikajAbstract:The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII atom with a distorted trigonal–bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N′-(1,4-phenylenedicarbonyl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule, which is located on a centre of inversion, by one nitrate counter-anion and four water molecules. In the crystal, the cationic complexes are linked via intermolecular π–π stacking and through lone-pair...π interactions involving the N,N′-(1,4-phenylenedicarbonyl)diglycinate anion and the phenanthroline ligands. The N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule is involved in classical and non-classical hydrogen-bonding interactions, as well as π–π stacking interactions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)–4.3673 (4) Å. The crystal structure is stabilized by further C—H...O contacts as well as by O—H...O and N—H...O hydrogen bonds between water molecules, the nitrate anions, the N,N′-(1,4-phenylenedicarbonyl)diglycinate ligands, N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecules and phenanthroline ligands, giving rise to a supramolecular framework. A Hirshfeld surface analysis was carried out to quantify these interactions
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crystal structure of bis tris 1 10 phenanthroline κ2n n cobalt ii tetra nitrate n n 1 4 phenyl enedicarbon yl Diglycine solvate octa hydrate
Acta Crystallographica Section E: Crystallographic Communications, 2015Co-Authors: Niels-patrick Pook, Philipp Hentrich, Mimoza GjikajAbstract:The complex cation of the title compound, [Co(C12H8N2)3]2(NO3)4·C12H12N2O6·8H2O, contains a CoII atom with a distorted octahedral coordination environment defined by six N atoms from three bidentate 1,10-phenanthroline ligands. The asymmetric unit of the title compound is completed by one-half of the N,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule, which is located on a centre of inversion, by two nitrate counter-anions and four solvent water molecules. Two [Co(C12H8N2)3]2+ cations are connected through C—H⋯O contacts and through lone-pair⋯π interactions involving the non-coordinating N,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. The different aromatic ring systems are involved in π–π stacking and C—H⋯π interactions, with centroid-to-centroid distances in the range 3.7094 (8)–3.9973 (9) A. The crystal structure is stabilized by further anion⋯π interactions and C—H⋯O contacts, as well as O—H⋯O and N—H⋯O hydrogen bonds between water molecules, the non-coordinating nitrate anions, N,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. These non-covalent interactions give rise to a three-dimensional supramolecular network.
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Crystal structure of bis[tris(1,10-phenanthroline-κ2N,N′)cobalt(II)] tetranitrate N,N′-(1,4-phenylenedicarbonyl)Diglycine solvate octahydrate
Acta Crystallographica Section E Crystallographic Communications, 2015Co-Authors: Niels-patrick Pook, Philipp Hentrich, Mimoza GjikajAbstract:The complex cation of the title compound, [Co(C12H8N2)3]2(NO3)4·C12H12N2O6·8H2O, contains a CoIIatom with a distorted octahedral coordination environment defined by six N atoms from three bidentate 1,10-phenanthroline ligands. The asymmetric unit of the title compound is completed by one-half of theN,N′-(1,4-phenylenedicarbonyl)Diglycine solvent molecule, which is located on a centre of inversion, by two nitrate counter-anions and four solvent water molecules. Two [Co(C12H8N2)3]2+cations are connected through C—H...O contacts and through lone-pair...π interactions involving the non-coordinatingN,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. The different aromatic ring systems are involved in π–π stacking and C—H...π interactions, with centroid-to-centroid distances in the range 3.7094 (8)–3.9973 (9) Å. The crystal structure is stabilized by further anion...π interactions and C—H...O contacts, as well as O—H...O and N—H...O hydrogen bonds between water molecules, the non-coordinating nitrate anions,N,N′-(1,4-phenylenedicarbonyl)Diglycine and phenanthroline molecules. These non-covalent interactions give rise to a three-dimensional supramolecular network.
Harald Høiland - One of the best experts on this subject based on the ideXlab platform.
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thermodynamic properties of peptide solutions 8 isentropic pressure coefficients v2 p s of the apparent molar volume v2 for each of the aqueous solutes Diglycine triglycine and tetraglycine
The Journal of Chemical Thermodynamics, 1991Co-Authors: Gavin R. Hedwig, Harald HøilandAbstract:The partial molar isentropic pressure coefficients at infinite dilution k∞S, 2 have been redetermined for the peptides Diglycine, triglycine, and tetraglycine in aqueous solutions at the temperature 298.15 K. The results are compared with those reported in the literature. For the series of oligoglycines, (gly)n with n = 1 to n = 4, k∞S, 2 is not a linear function of n. This result is contrary to that reported in the literature.
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Thermodynamic properties of peptide solutions 8. Isentropic pressure coefficients (∂ V2,/∂p)s of the apparent molar volume V2, for each of the aqueous solutes: Diglycine, triglycine, and tetraglycine
The Journal of Chemical Thermodynamics, 1991Co-Authors: Gavin R. Hedwig, Harald HøilandAbstract:The partial molar isentropic pressure coefficients at infinite dilution k∞S, 2 have been redetermined for the peptides Diglycine, triglycine, and tetraglycine in aqueous solutions at the temperature 298.15 K. The results are compared with those reported in the literature. For the series of oligoglycines, (gly)n with n = 1 to n = 4, k∞S, 2 is not a linear function of n. This result is contrary to that reported in the literature.