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Manickam Bakthadoss - One of the best experts on this subject based on the ideXlab platform.
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rac-3-(4-Chlorophenyl)-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-carbonitrile
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C17H11ClN2O2, which contains two stereogenic C atoms, crystallizes in a centrosymmetric space group as a racemate. The pyran Ring and the Isoxazole Ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene Ring and the mean plane through the near coplanar atoms of the pyran Ring is 4.17 (5)°. The molecular conformation features a weak C—H⋯O contact. In the crystal, C—H⋯O hydrogen bonds link the molecules, forming chains along the a-axis direction.
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rac-Methyl 3-(2-meth-oxy-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]Isoxazole-3a-carboxyl-ate.
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran Ring adopts a half-chair conformation, while the Isoxazole Ring adopts an envelope conformation with the C atom bonded to the methoxyphenyl group as the flap. The dihedral angle between the mean plane of the pyran Ring and the adjacent benzene Ring is 5.86 (5)°. In the crystal, molecules are linked by a weak C—H⋯O hydrogen bond, forming a chain along the a axis.
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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-carbo-nitrile.
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: G. Suresh, Manickam Bakthadoss, J. Srinivasan, S. AravindhanAbstract:In the title compound, C17H11BrN2O2, the five-membered Isoxazole Ring has an envelope conformation with the C atom beaRing the phenyl Ring as the flap. The pyran Ring has a half-chair conformation. In the chromeno Ring system, the dihedral angle between the mean plane of the pyran Ring and the benzene Ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno Ring system and the Isoxazole Ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl Ring. In the crystal, molecules are linked by C—H⋯N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.
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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-carbonitrile
Acta Crystallographica Section E Structure Reports Online, 2013Co-Authors: G. Suresh, Manickam Bakthadoss, J. Srinivasan, S. AravindhanAbstract:In the title compound, C17H11BrN2O2, the five-membered Isoxazole Ring has an envelope conformation with the C atom beaRing the phenyl Ring as the flap. The pyran Ring has a half-chair conformation. In the chromeno Ring system, the dihedral angle between the mean plane of the pyran Ring and the benzene Ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno Ring system and the Isoxazole Ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl Ring. In the crystal, molecules are linked by C—H⋯N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.
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Methyl 6-eth-oxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-car-boxylate.
Acta Crystallographica Section E Structure Reports Online, 2013Co-Authors: G. Suresh, Manickam Bakthadoss, J. Srinivasan, S. AravindhanAbstract:In the title compound, C20H19NO5, the dihedral angle between the mean plane of the pyran Ring (which has a half-chair conformation) and the benzene Ring of the chromeno Ring system is 7.21 (7)°. The dihedral angle between the mean plane of the chromeno Ring system and the Isoxazole Ring is 21.78 (6)°, while the Isoxazole Ring forms a dihedral angle of 72.60 (8)° with the attached phenyl Ring. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R22(10) Ring motif. These dimers are linked via C—H⋯N hydrogen bonds, forming chains along [001].
Lahcen El Ammari - One of the best experts on this subject based on the ideXlab platform.
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2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one
International Union of Crystallography, 2018Co-Authors: A. Mahfoud, Mohamed El Yazidi, Ghali Al Houari, Mohamed Saadi, Lahcen El AmmariAbstract:The title compound, C25H20N2O5, crystallizes with two molecules (A and B) in the asymmetric unit with similar conformations. The five-membered Rings are both in envelope conformations with the spiro C atom as the flap. The six-membered heterocycles display half-chair conformations. The mean plane through the Isoxazole Ring is nearly perpendicular to those through the spiro-chroman system and the 4-nitrophenyl moieties, as indicated by the dihedral angles of 81.42 (9) and 87.58 (8)°, respectively, between them in molecule A. Equivalent data for molecule B are 75.58 (9) and 84.15 (8)°, respectively. The p-tolyl plane makes a dihedral angles of 24.10 (9) and 28.78 (8)° with the Isoxazole Ring in molecules A and B, respectively. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds and C—H...π interaction, forming a three-dimensional network
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3′-(4-Chlorophenyl)-4′-phenyl-3H,4′H-spiro[benzo[b]thiophene-2,5′-isoxazol]-3-one
IUCrData, 2017Co-Authors: Mohamed Bakhouch, Mohamed El Yazidi, Ghali Al Houari, Mohamed Saadi, Lahcen El AmmariAbstract:The molecule of the title compound, C22H14ClNO2S, is built up from an Isoxazole Ring linked to a benzothiophene Ring system with additional phenyl and 4-chlorophenyl substituents. The benzothiophene system is virtually planar with the largest deviation from the mean plane being 0.041 (2) A, while the Isoxazole Ring adopts an envelope conformation. The plane of the benzothiophene Ring system is almost perpendicular to those of the phenyl and the 4-chlorophenyl Rings, with dihedral angles of 64.76 (10) and 82.81 (10)°, respectively, between them. The phenyl Ring is inclined by 85.76 (12)° to the plane of the 4-chlorophenyl Ring, which in turn lies close to the plane of the Isoxazole Ring. In the crystal, molecules are linked by weak C—H⋯O hydrogen bonds and offset π–π interactions between the aromatic Rings of adjacent benzothiophene Ring systems. These combine to form a three-dimensional network structure.
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Crystal structure of 4-(4-meth-oxy-phen-yl)-4',4'-dimethyl-3-p-tolyl-3',4'-di-hydro-1'H,3H-spiro-[Isoxazole-5,2'-naphthalen]-1'-one.
Acta Crystallographica Section E Crystallographic Communications, 2015Co-Authors: Mohamed Akhazzane, Mohamed El Yazidi, Ghali Al Houari, Mohamed Saadi, Lahcen El AmmariAbstract:In the title compound, C28H27NO3, the cyclohexanone and Isoxazole Rings have envelope conformations, with the methylene and spiro C atoms as the flaps, respectively. The mean plane of the Isoxazole Ring is inclined slightly to the p-tolyl Ring, making a dihedral angle of 14.20 (9)°, and is nearly perpendicular to the mean plane through the tetralone moiety and to the methoxyphenyl Ring [dihedral angles = 83.41 (8) and 72.12 (9)°, respectively]. The crystal packing is stabilized mainly by van der Waals forces.
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5-Methyl-3-[1-(2-pyridylmeth-yl)-1H-benzimidazol-2-ylmeth-yl]Isoxazole.
Acta Crystallographica Section E Structure Reports Online, 2009Co-Authors: Mohamadou Lamine Doumbia, Rachid Bouhfid, El Mokhtar Essassi, Lahcen El AmmariAbstract:The title compound, C18H16N4O, is built up from fused six- and five-membered Rings linked to a five-membered Isoxazole Ring and to a six-membered pyridine Ring through a CH2 group. The fused-Ring system is essentially planar, with a maximum deviation of 0.019 (1) A. It forms interplanar angles of 70.03 (7)° with the Isoxazole Ring and 81.68 (7)° with the pyridine Ring; the two latter Rings are also planar, the maximum deviations from the mean planes being 0.0028 (15) and 0.0047 (12) A, respectively. In the crystal, weak intermolecular non-classical C—H⋯N hydrogen bonds link the molecules, forming a zigzag-like chain parallel to the b axis. A weak intramolecular C—H⋯N hydrogen bond may help to define the conformation of the molecule.
P R Seshadri - One of the best experts on this subject based on the ideXlab platform.
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rac-3-(4-Chlorophenyl)-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-carbonitrile
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C17H11ClN2O2, which contains two stereogenic C atoms, crystallizes in a centrosymmetric space group as a racemate. The pyran Ring and the Isoxazole Ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene Ring and the mean plane through the near coplanar atoms of the pyran Ring is 4.17 (5)°. The molecular conformation features a weak C—H⋯O contact. In the crystal, C—H⋯O hydrogen bonds link the molecules, forming chains along the a-axis direction.
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rac-Methyl 3-(2-meth-oxy-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]Isoxazole-3a-carboxyl-ate.
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran Ring adopts a half-chair conformation, while the Isoxazole Ring adopts an envelope conformation with the C atom bonded to the methoxyphenyl group as the flap. The dihedral angle between the mean plane of the pyran Ring and the adjacent benzene Ring is 5.86 (5)°. In the crystal, molecules are linked by a weak C—H⋯O hydrogen bond, forming a chain along the a axis.
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5-(3-Meth-oxy-phen-yl)-3-phenyl-1,2-oxazole.
Acta crystallographica. Section E Structure reports online, 2013Co-Authors: B. Balakrishnan, P R Seshadri, C. Praveen, Paramasivam T. PerumalAbstract:In the title compound, C16H13NO2, the Isoxazole Ring makes dihedral angles of 17.1 (1)° with the 3-meth-oxy-phenyl Ring and 15.2 (1)° with the phenyl group. Centrosymmetric dimers that are realised by pairs of C-H⋯π inter-actions are observed in the crystal structure.
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rac-Methyl 3-(2-meth-oxy-phen-yl)-1-phenyl-3,3a,4,9b-tetra-hydro-1H-chromeno[4,3-c]Isoxazole-3a-carboxyl-ate.
Acta Crystallographica Section E-structure Reports Online, 2012Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C25H23NO5, comprising two stereogenic carbon atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The six-membered pyran Ring and the five-membered Isoxazole Ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene Ring and the mean plane through the near coplanar atoms of the pyran Ring is 10.73 (7)°. The crystal structure features C—H⋯O hydrogen bonds.
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rac-6-Ethoxy-3,3a,4,9b-tetrahydro-1,3-diphenyl-1H-chromeno[4,3-c]Isoxazole-3a-carbonitrile
Acta Crystallographica Section E-structure Reports Online, 2012Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C25H22N2O3, with three stereogenic centres, crystallizes in a centrosymmetric space group as a racemate. The pyran Ring adopts a sofa conformation and the five-membered Isoxazole Ring exhibits an envelope conformation. The dihedral angle between the benzene Ring and the mean plane through the near coplanar atoms of the pyran Ring is 10.54 (9)°. In the crystal, no significant intermolecular interactions are observed.
L. El Ammari - One of the best experts on this subject based on the ideXlab platform.
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9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-Isoxazole monohydrate
IUCrData, 2019Co-Authors: F. Outahar, Mohamed Saadi, Abdellah Hannioui, El Mostapha Rakib, Mohamed Akssira, L. El AmmariAbstract:In the title compound, C22H25NO5·H2O, the ten-membered Ring displays an approximate chair–chair conformation, whereas the five-membered furan Ring has an envelope conformation, with the C atom of the methine group adjacent to the spiro C atom as the flap. The Isoxazole Ring is almost planar and its plane is slightly inclined to the plane of the attached phenyl Ring. The mean plane of the furan Ring is nearly perpendicular to that of the Isoxazole Ring, as indicated by the dihedral angle between them of 89.39 (12)°. In the crystal, the organic molecules are linked into [010] chains by O—H⋯O hydrogen bonds. The water molecule forms O—H⋯O and O—H⋯N hydrogen bonds and a weak C—H⋯O interaction is also observed. Together, these lead to a three-dimensional network.
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2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one
IUCrData, 2018Co-Authors: A. Mahfoud, Mohamed El Yazidi, Ghali Al Houari, Mohamed Saadi, L. El AmmariAbstract:The title compound, C25H20N2O5, crystallizes with two molecules (A and B) in the asymmetric unit with similar conformations. The five-membered Rings are both in envelope conformations with the spiro C atom as the flap. The six-membered heterocycles display half-chair conformations. The mean plane through the Isoxazole Ring is nearly perpendicular to those through the spiro-chroman system and the 4-nitrophenyl moieties, as indicated by the dihedral angles of 81.42 (9) and 87.58 (8)°, respectively, between them in molecule A. Equivalent data for molecule B are 75.58 (9) and 84.15 (8)°, respectively. The p-tolyl plane makes a dihedral angles of 24.10 (9) and 28.78 (8)° with the Isoxazole Ring in molecules A and B, respectively. In the crystal, molecules are linked by C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π interaction, forming a three-dimensional network.
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3-Benzyl-1-{[3-(4-chloro-phen-yl)isoxazol-5-yl]meth-yl}-1H-benzimidazol-2(3H)-one.
Acta Crystallographica Section E Structure Reports Online, 2013Co-Authors: Y. Kandri Rodi, A. Haoudi, Frédéric Capet, Christian Rolando, L. El AmmariAbstract:In the title compound, C24H18ClN3O2, the benzimidazole plane is nearly perpendicular to the phenyl Ring and to the Isoxazole Ring, making dihedral angles of 75.95 (7) and 73.04 (8)°, respectively, but the two residues point in opposite directions with respect to the benzimidazole plane. The dihedral angle between the chlorophenyl and Isoxazole Rings is 7.95 (8)°. In the crystal, molecules are linked by pairs of C—H⋯O hydrogen bonds into inversion dimers.
J. Srinivasan - One of the best experts on this subject based on the ideXlab platform.
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rac-3-(4-Chlorophenyl)-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-carbonitrile
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C17H11ClN2O2, which contains two stereogenic C atoms, crystallizes in a centrosymmetric space group as a racemate. The pyran Ring and the Isoxazole Ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene Ring and the mean plane through the near coplanar atoms of the pyran Ring is 4.17 (5)°. The molecular conformation features a weak C—H⋯O contact. In the crystal, C—H⋯O hydrogen bonds link the molecules, forming chains along the a-axis direction.
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rac-Methyl 3-(2-meth-oxy-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]Isoxazole-3a-carboxyl-ate.
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: Saravanan Paramasivam, P R Seshadri, J. Srinivasan, Manickam BakthadossAbstract:The title compound, C19H17NO5, comprising two stereogenic C atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The pyran Ring adopts a half-chair conformation, while the Isoxazole Ring adopts an envelope conformation with the C atom bonded to the methoxyphenyl group as the flap. The dihedral angle between the mean plane of the pyran Ring and the adjacent benzene Ring is 5.86 (5)°. In the crystal, molecules are linked by a weak C—H⋯O hydrogen bond, forming a chain along the a axis.
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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-carbo-nitrile.
Acta Crystallographica Section E-structure Reports Online, 2013Co-Authors: G. Suresh, Manickam Bakthadoss, J. Srinivasan, S. AravindhanAbstract:In the title compound, C17H11BrN2O2, the five-membered Isoxazole Ring has an envelope conformation with the C atom beaRing the phenyl Ring as the flap. The pyran Ring has a half-chair conformation. In the chromeno Ring system, the dihedral angle between the mean plane of the pyran Ring and the benzene Ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno Ring system and the Isoxazole Ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl Ring. In the crystal, molecules are linked by C—H⋯N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.
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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-carbonitrile
Acta Crystallographica Section E Structure Reports Online, 2013Co-Authors: G. Suresh, Manickam Bakthadoss, J. Srinivasan, S. AravindhanAbstract:In the title compound, C17H11BrN2O2, the five-membered Isoxazole Ring has an envelope conformation with the C atom beaRing the phenyl Ring as the flap. The pyran Ring has a half-chair conformation. In the chromeno Ring system, the dihedral angle between the mean plane of the pyran Ring and the benzene Ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno Ring system and the Isoxazole Ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl Ring. In the crystal, molecules are linked by C—H⋯N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.
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Methyl 6-eth-oxy-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]Isoxazole-3a-car-boxylate.
Acta Crystallographica Section E Structure Reports Online, 2013Co-Authors: G. Suresh, Manickam Bakthadoss, J. Srinivasan, S. AravindhanAbstract:In the title compound, C20H19NO5, the dihedral angle between the mean plane of the pyran Ring (which has a half-chair conformation) and the benzene Ring of the chromeno Ring system is 7.21 (7)°. The dihedral angle between the mean plane of the chromeno Ring system and the Isoxazole Ring is 21.78 (6)°, while the Isoxazole Ring forms a dihedral angle of 72.60 (8)° with the attached phenyl Ring. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R22(10) Ring motif. These dimers are linked via C—H⋯N hydrogen bonds, forming chains along [001].
