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D.l. Morell - One of the best experts on this subject based on the ideXlab platform.
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An exploration of O—H⋯O and C—H⋯π interactions in a Long-Chain-Ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
Acta Crystallographica Section E Crystallographic Communications, 2018Co-Authors: David K. Geiger, H.c. Geiger, D.l. MorellAbstract:An understanding of the driving forces resulting in crystallization vs organogel formation is essential to the development of modern soft materials. In the molecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate (MBO10Me), C23H30O4, the aromatic rings of the biphenyl group are canted by 6.6 (2)° and the Long-Chain Ester group has an extended conformation. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, forming chains along [10\overline{3}]. The chains are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C—H⋯π interactions, forming a three-dimensional supramolecular structure. The extended structure exhibits a lamellar sheet arrangement of molecules stacking along the b-axis direction. Each molecule has six nearest neighbors and the seven-molecule bundles stack to form a columnar superstructure. Interaction energies within the bundles are dominated by dispersion forces, whereas intercolumnar interactions have a greater electrostatic component.
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An exploration of O-H⋯O and C-H⋯π inter-actions in a Long-Chain-Ester-substituted phenyl-phenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate.
Acta crystallographica. Section E Crystallographic communications, 2018Co-Authors: David K. Geiger, H.c. Geiger, D.l. MorellAbstract:An understanding of the driving forces resulting in crystallization vs organogel formation is essential to the development of modern soft materials. In the mol-ecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phen-oxy]decanoate (MBO10Me), C23H30O4, the aromatic rings of the biphenyl group are canted by 6.6 (2)° and the Long-Chain Ester group has an extended conformation. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains along [10[Formula: see text]]. The chains are linked by C-H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C-H⋯π inter-actions, forming a three-dimensional supra-molecular structure. The extended structure exhibits a lamellar sheet arrangement of mol-ecules stacking along the b-axis direction. Each mol-ecule has six nearest neighbors and the seven-mol-ecule bundles stack to form a columnar superstructure. Inter-action energies within the bundles are dominated by dispersion forces, whereas inter-columnar inter-actions have a greater electrostatic component.
David K. Geiger - One of the best experts on this subject based on the ideXlab platform.
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An exploration of O—H⋯O and C—H⋯π interactions in a Long-Chain-Ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
Acta Crystallographica Section E Crystallographic Communications, 2018Co-Authors: David K. Geiger, H.c. Geiger, D.l. MorellAbstract:An understanding of the driving forces resulting in crystallization vs organogel formation is essential to the development of modern soft materials. In the molecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate (MBO10Me), C23H30O4, the aromatic rings of the biphenyl group are canted by 6.6 (2)° and the Long-Chain Ester group has an extended conformation. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, forming chains along [10\overline{3}]. The chains are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C—H⋯π interactions, forming a three-dimensional supramolecular structure. The extended structure exhibits a lamellar sheet arrangement of molecules stacking along the b-axis direction. Each molecule has six nearest neighbors and the seven-molecule bundles stack to form a columnar superstructure. Interaction energies within the bundles are dominated by dispersion forces, whereas intercolumnar interactions have a greater electrostatic component.
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An exploration of O-H⋯O and C-H⋯π inter-actions in a Long-Chain-Ester-substituted phenyl-phenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate.
Acta crystallographica. Section E Crystallographic communications, 2018Co-Authors: David K. Geiger, H.c. Geiger, D.l. MorellAbstract:An understanding of the driving forces resulting in crystallization vs organogel formation is essential to the development of modern soft materials. In the mol-ecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phen-oxy]decanoate (MBO10Me), C23H30O4, the aromatic rings of the biphenyl group are canted by 6.6 (2)° and the Long-Chain Ester group has an extended conformation. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains along [10[Formula: see text]]. The chains are linked by C-H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C-H⋯π inter-actions, forming a three-dimensional supra-molecular structure. The extended structure exhibits a lamellar sheet arrangement of mol-ecules stacking along the b-axis direction. Each mol-ecule has six nearest neighbors and the seven-mol-ecule bundles stack to form a columnar superstructure. Inter-action energies within the bundles are dominated by dispersion forces, whereas inter-columnar inter-actions have a greater electrostatic component.
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Structural characterization, gelation ability, and energy-framework analysis of two bis(Long-Chain Ester)-substituted 4,4'-biphenyl compounds.
Acta Crystallographica Section C Structural Chemistry, 2017Co-Authors: David K. Geiger, H.c. Geiger, Shawn M. Moore, William R. RobertsAbstract:There are few examples of single-crystal structure determinations of gelators, as gel formation requires that the dissolved gelator self-assemble into a three-dimensional network structure incorporating solvent via noncovalent interactions rather than self-assembly followed by crystallization. In the solid-state structures of the isostructural compounds 4,4′-bis[5-(methoxycarbonyl)pentyloxy]biphenyl (BBO6-Me), C26H34O6, and 4,4′-bis[5-(ethoxycarbonyl)pentyloxy]biphenyl (BBO6-Et), C28H38O6, the molecules sit on a crystallographically imposed center of symmetry, resulting in strictly coplanar phenyl rings. BBO6-Me behaves as an organogelator in various alcohol solvents, whereas BBO6-Et does not. The extended structure reveals bundles of molecules that form a columnar superstructure. Framework-energy calculations reveal much stronger interaction energies within the columns (−52 to −78 kJ mol−1) than between columns (−2 to −16 kJ mol−1). The intracolumnar interactions are dominated by a dispersion component, whereas the intercolumnar interactions have a substantial electrostatic component.
H.c. Geiger - One of the best experts on this subject based on the ideXlab platform.
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An exploration of O—H⋯O and C—H⋯π interactions in a Long-Chain-Ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
Acta Crystallographica Section E Crystallographic Communications, 2018Co-Authors: David K. Geiger, H.c. Geiger, D.l. MorellAbstract:An understanding of the driving forces resulting in crystallization vs organogel formation is essential to the development of modern soft materials. In the molecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate (MBO10Me), C23H30O4, the aromatic rings of the biphenyl group are canted by 6.6 (2)° and the Long-Chain Ester group has an extended conformation. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, forming chains along [10\overline{3}]. The chains are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C—H⋯π interactions, forming a three-dimensional supramolecular structure. The extended structure exhibits a lamellar sheet arrangement of molecules stacking along the b-axis direction. Each molecule has six nearest neighbors and the seven-molecule bundles stack to form a columnar superstructure. Interaction energies within the bundles are dominated by dispersion forces, whereas intercolumnar interactions have a greater electrostatic component.
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An exploration of O-H⋯O and C-H⋯π inter-actions in a Long-Chain-Ester-substituted phenyl-phenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate.
Acta crystallographica. Section E Crystallographic communications, 2018Co-Authors: David K. Geiger, H.c. Geiger, D.l. MorellAbstract:An understanding of the driving forces resulting in crystallization vs organogel formation is essential to the development of modern soft materials. In the mol-ecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phen-oxy]decanoate (MBO10Me), C23H30O4, the aromatic rings of the biphenyl group are canted by 6.6 (2)° and the Long-Chain Ester group has an extended conformation. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains along [10[Formula: see text]]. The chains are linked by C-H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C-H⋯π inter-actions, forming a three-dimensional supra-molecular structure. The extended structure exhibits a lamellar sheet arrangement of mol-ecules stacking along the b-axis direction. Each mol-ecule has six nearest neighbors and the seven-mol-ecule bundles stack to form a columnar superstructure. Inter-action energies within the bundles are dominated by dispersion forces, whereas inter-columnar inter-actions have a greater electrostatic component.
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Structural characterization, gelation ability, and energy-framework analysis of two bis(Long-Chain Ester)-substituted 4,4'-biphenyl compounds.
Acta Crystallographica Section C Structural Chemistry, 2017Co-Authors: David K. Geiger, H.c. Geiger, Shawn M. Moore, William R. RobertsAbstract:There are few examples of single-crystal structure determinations of gelators, as gel formation requires that the dissolved gelator self-assemble into a three-dimensional network structure incorporating solvent via noncovalent interactions rather than self-assembly followed by crystallization. In the solid-state structures of the isostructural compounds 4,4′-bis[5-(methoxycarbonyl)pentyloxy]biphenyl (BBO6-Me), C26H34O6, and 4,4′-bis[5-(ethoxycarbonyl)pentyloxy]biphenyl (BBO6-Et), C28H38O6, the molecules sit on a crystallographically imposed center of symmetry, resulting in strictly coplanar phenyl rings. BBO6-Me behaves as an organogelator in various alcohol solvents, whereas BBO6-Et does not. The extended structure reveals bundles of molecules that form a columnar superstructure. Framework-energy calculations reveal much stronger interaction energies within the columns (−52 to −78 kJ mol−1) than between columns (−2 to −16 kJ mol−1). The intracolumnar interactions are dominated by a dispersion component, whereas the intercolumnar interactions have a substantial electrostatic component.
Bikram Singh - One of the best experts on this subject based on the ideXlab platform.
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Sesquiterpene and long chain Ester from Tanacetum longifolium.
Phytochemistry, 2002Co-Authors: Umar Mahmood, Vijay K. Kaul, Bikram SinghAbstract:Abstract A new naturally occurring linear sesquiterpene (tanacetene) ( 1 ) having irregular non-head- to- tail attachment of isoprene units, a new long chain Ester ( 2 ) and 10 known compounds have been isolated from hexane and chloroform extracts of the roots and aerial parts of Tanacetum longifolium wall. The structure of (tanacetene) ( 1 ) was established as (2 E ,6 E ,10 E )-2,6,11-trimethyl-dodeca-2,6,10-triene and that of ( 2 ) as heptatriacontanyl eicosanoate by spectroscopic methods along with 10 known compounds. From the oily fraction twelve volatile compounds were identified by GC–MS. The roots of this plant were found to be a new major source of Z -spiroketalenol ether-6,7-epoxy-diyne in 3.2% yield on dry weight basis.
Stig Allenmark - One of the best experts on this subject based on the ideXlab platform.
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Factors influencing the micellar catalyzed hydrolysis of Long-Chain alkyl betainates
Journal of Colloid and Interface Science, 1992Co-Authors: Richard A. Thompson, Stig AllenmarkAbstract:Radiolabeled compounds were used to study and compare the hydrolysis rates of long- and short-chain alkyl betainates (alkoxycarbonyl-N,N,N-trimethylmethanaminium chlorides). The rate of hydrolysis of the Long-Chain Ester was found to be subject to micellar catalysis. However, an increased rate was found even below the critical micelle concentration. Studies of the temperature and pH dependence of the hydrolysis rate of the Long-Chain betaine Ester with an alkyl chain length of 14 were performed. The effects of hydrophilic and hydrophobic anions on the rates of hydrolysis were also studied. These were found to be consistent with the pseudophase ion-exchange model.
