Browsing by Author "Goh, J.H."
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Item 1-Dibromomethyl-4-methoxy-2-nitrobenzene(2009) Fun, H.-K.; Goh, J.H.; Chandrakantha, B.; Isloor, A.M.The asymmetric unit of the title compound, C8H 7Br2NO3, comprises two crystallographically independent molecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9) in molecules A and B, respectively. In each mol-ecule, the dibromo-methyl group is orientated in such a way that the two Br atoms are tilted away from the benzene ring. An inter-esting features of the crystal structure is the two short Br?Br inter-actions which, together with inter-molecular C - H?O hydrogen bonds, link the molecules into an extended three-dimensional network. The crystal structure is further stabilized by weak C - H?? inter-actions. Fun et al. 2009.Item 1-Dibromomethyl-4-methoxy-2-nitrobenzene(2009) Fun, H.-K.; Goh, J.H.; Chandrakantha, B.; Isloor, A.M.The asymmetric unit of the title compound, C8H 7Br2NO3, comprises two crystallographically independent molecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9)° in molecules A and B, respectively. In each mol-ecule, the dibromo-methyl group is orientated in such a way that the two Br atoms are tilted away from the benzene ring. An inter-esting features of the crystal structure is the two short Br?Br inter-actions which, together with inter-molecular C - H?O hydrogen bonds, link the molecules into an extended three-dimensional network. The crystal structure is further stabilized by weak C - H?? inter-actions. © Fun et al. 2009.Item 2-Chloro-4-nitro-1H-imidazole(2010) Fun, H.-K.; Goh, J.H.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.The molecule of the title compound, C3H2ClN 3O2, is almost planar; the dihedral angle between the imidazole ring and the nitro group is 1.7 (2) . In the crystal structure, pairs of inter-molecular C-H?O hydrogen bonds link inversion-related molecules into dimers, generating R22(10) ring motifs. The dimers are inter-connected into two-dimensional networks parallel to (102) via inter-molecular N-H?N hydrogen bonds. Further stabilization is provided by short inter-molecular Cl?O inter-actions [3.142 (2) and 3.1475 (19) ].Item 2-Chloro-4-nitro-1H-imidazole(2010) Fun, H.-K.; Goh, J.H.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.The molecule of the title compound, C3H2ClN 3O2, is almost planar; the dihedral angle between the imidazole ring and the nitro group is 1.7 (2)°. In the crystal structure, pairs of inter-molecular C-H?O hydrogen bonds link inversion-related molecules into dimers, generating R22(10) ring motifs. The dimers are inter-connected into two-dimensional networks parallel to (102) via inter-molecular N-H?N hydrogen bonds. Further stabilization is provided by short inter-molecular Cl?O inter-actions [3.142 (2) and 3.1475 (19) Å].Item 4-(4-Fluoro-phen-oxy)benzoic acid(2009) Fun, H.-K.; Goh, J.H.; Rai, S.; Shetty, P.; Isloor, A.M.In the title compound, C13H9FO3, the dihedral angle between the two benzene rings is 70.99 (5) . In the crystal structure, molecules are linked into dimers by centrosymmetric O - H?O inter-actions, generating R 2 2(8) ring motifs. These dimers are linked into a two-dimensional array, parallel to the ab plane, by two different C - H?O inter-actions. A weak C - H?? inter-actions is also present. 2009 Fun et al.Item 4-(4-Fluoro-phen-oxy)benzoic acid(2009) Fun, H.-K.; Goh, J.H.; Rai, S.; Shetty, P.; Isloor, A.M.In the title compound, C13H9FO3, the dihedral angle between the two benzene rings is 70.99 (5)°. In the crystal structure, molecules are linked into dimers by centrosymmetric O - H?O inter-actions, generating R 2 2(8) ring motifs. These dimers are linked into a two-dimensional array, parallel to the ab plane, by two different C - H?O inter-actions. A weak C - H?? inter-actions is also present. © 2009 Fun et al.Item 4-Amino-3-(p-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione(2009) Fun, H.-K.; Goh, J.H.; Vijesh, A.M.; Padaki, M.; Isloor, A.M.In the title triazole compound, C10H12N 4OS, the triazole ring is essentially planar [maximum deviation = 0.009 (1) ] and forms a dihedral angle of 5.78 (4) with the benzene ring. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric N - H?S inter-actions. These dimers are linked into two-mol-ecule-wide tapes by N - H?N and S?S [3.2634 (3) ] inter-actions. In addition, they are further inter-connected by weak N - H?S inter-actions into sheets parallel to the ab plane. The crystal structure is further stabilized by weak inter-molecular C - H?? inter-actions. 2009 Fun et al.Item 4-Amino-3-(p-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione(2009) Fun, H.-K.; Goh, J.H.; Vijesh, A.M.; Padaki, M.; Isloor, A.M.In the title triazole compound, C10H12N 4OS, the triazole ring is essentially planar [maximum deviation = 0.009 (1) Å] and forms a dihedral angle of 5.78 (4)° with the benzene ring. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric N - H?S inter-actions. These dimers are linked into two-mol-ecule-wide tapes by N - H?N and S?S [3.2634 (3) Å] inter-actions. In addition, they are further inter-connected by weak N - H?S inter-actions into sheets parallel to the ab plane. The crystal structure is further stabilized by weak inter-molecular C - H?? inter-actions. © 2009 Fun et al.Item (E)-1-(4-Bromophenyl)ethan-1-one semicarbazone(2009) Fun, H.-K.; Goh, J.H.; Padaki, M.; Malladi, S.; Isloor, A.M.In the title compound, C9H10BrN3O, the hydrazone portion and aliphatic chain are essentially coplanar [maximum deviation 0.057 (15) ] and the mean plane makes a dihedral angle of 70.9 (6) with the benzene ring. The main feature of the crystal structure is the inter-molecular N - H?O hydrogen bond, which links mol-ecules into zigzag chains along the a axis. These chains are further stacked along the b axis. The crystal structure features non-classical inter-molecular C - H?O inter-actions. The crystal studied was a nonmerohedral twin, with a twin ratio of 0.505 (1):0.495 (1).Item (E)-1-(4-Bromophenyl)ethan-1-one semicarbazone(2009) Fun, H.-K.; Goh, J.H.; Padaki, M.; Malladi, S.; Isloor, A.M.In the title compound, C9H10BrN3O, the hydrazone portion and aliphatic chain are essentially coplanar [maximum deviation 0.057 (15) Å] and the mean plane makes a dihedral angle of 70.9 (6)° with the benzene ring. The main feature of the crystal structure is the inter-molecular N - H?O hydrogen bond, which links mol-ecules into zigzag chains along the a axis. These chains are further stacked along the b axis. The crystal structure features non-classical inter-molecular C - H?O inter-actions. The crystal studied was a nonmerohedral twin, with a twin ratio of 0.505 (1):0.495 (1).Item Methyl 2,6-bis-[(5-bromo-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate(2010) Fun, H.-K.; Goh, J.H.; Rai, S.; Isloor, A.M.; Shetty, P.In the title compound, C20H18Br2N 4O8, the inter-planar angle of the pyrimidine rings is 75.1 (2) . The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2) with respect to the two pyrimidine rings. In the crystal structure, adjacent molecules are connected into two-molecule-thick arrays parallel to the bc plane via short Br?Br [3.5328 (12) ] and Br?O [3.206 (3) and 3.301 (4) ] inter-actions. A weak inter-molecular ?-? aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) ] is also observed.Item Methyl 2,6-bis-[(5-bromo-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate(2010) Fun, H.-K.; Goh, J.H.; Rai, S.; Isloor, A.M.; Shetty, P.In the title compound, C20H18Br2N 4O8, the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent molecules are connected into two-molecule-thick arrays parallel to the bc plane via short Br?Br [3.5328 (12) Å] and Br?O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular ?-? aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.Item Methyl 2,6-bis-[(5-chloro-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate(2010) Fun, H.-K.; Goh, J.H.; Rai, S.; Isloor, A.M.; Shetty, P.In the title compound, C20H18Cl2N 4O8, the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6) with respect to the central benzene ring. In the crystal structure, inter-molecular C-H?N hydrogen bonds link neighbouring molecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl?Cl [3.4427 (6) ] and Cl?O [3.1420 (9) and 3.1750 (11) ] inter-actions. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distance 3.4552 (8) ] involving the pyrimidine rings.Item Methyl 2,6-bis-[(5-chloro-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate(2010) Fun, H.-K.; Goh, J.H.; Rai, S.; Isloor, A.M.; Shetty, P.In the title compound, C20H18Cl2N 4O8, the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H?N hydrogen bonds link neighbouring molecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl?Cl [3.4427 (6) Å] and Cl?O [3.1420 (9) and 3.1750 (11) Å] inter-actions. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distance 3.4552 (8) Å] involving the pyrimidine rings.