Browsing by Author "Shivananda, K.N."

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2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate
(2011) Fun, H.-K.; Shahani, T.; Garudachari, B.; Isloor, A.M.; Shivananda, K.N.
The title compound, C 15H 11ClO 4, consists of a chloro-benzene ring and a phenol ring which are linked together by a 1,4-dioxo-2-oxabutane-1,4-diyl group. The dihedral angle between the chloro-benzene and phenol rings is 65.70 (11) . In the crystal, intermolecular O-H?O hydrogen bonds link the molecules into chains along [010].
2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate
(2011) Fun, H.-K.; Shahani, T.; Garudachari, B.; Isloor, A.M.; Shivananda, K.N.
The title compound, C 15H 11ClO 4, consists of a chloro-benzene ring and a phenol ring which are linked together by a 1,4-dioxo-2-oxabutane-1,4-diyl group. The dihedral angle between the chloro-benzene and phenol rings is 65.70 (11)°. In the crystal, intermolecular O-H?O hydrogen bonds link the molecules into chains along [010].
2-(4-Fluorophenyl)-2-oxoethyl 3-(trifluoromethyl)benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C16H10F4O 3, the fluoro-form group is disordered over two orientations with an occupancy ratio of 0.834 (4):0.166 (4). The dihedral angle between the two aromatic rings is 20.34 (9) . In the crystal, C - H?O hydrogen bonds link the molecules into layers lying parallel to the bc plane. Fun et al. 2011.
2-(4-Fluorophenyl)-2-oxoethyl 3-(trifluoromethyl)benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C16H10F4O 3, the fluoro-form group is disordered over two orientations with an occupancy ratio of 0.834 (4):0.166 (4). The dihedral angle between the two aromatic rings is 20.34 (9)°. In the crystal, C - H?O hydrogen bonds link the molecules into layers lying parallel to the bc plane. © Fun et al. 2011.
2-[(E)-4-Diethylamino-2-hydroxybenzyl-idene]hydrazinecarboxamide
(2012) Fun, H.-K.; Ooi, C.W.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
Two molecules make up the asymmetric unit of the title compound, C 12H 18N 4O 2, and both feature an intramolecular O - H?N hydrogen bond, which generates an S(6) ring. The diethylamino group of one of the molecules is disordered over two sets of sites in a 0.59 (2):0.41 (2) ratio. In the crystal, N - H?O hydrogen bonds link the molecules into sheets lying parallel to the ac plane and C - H?? interactions are also observed.
2-[(E)-4-Diethylamino-2-hydroxybenzyl-idene]hydrazinecarboxamide
(2012) Fun, H.-K.; Ooi, C.W.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
Two molecules make up the asymmetric unit of the title compound, C 12H 18N 4O 2, and both feature an intramolecular O - H?N hydrogen bond, which generates an S(6) ring. The diethylamino group of one of the molecules is disordered over two sets of sites in a 0.59 (2):0.41 (2) ratio. In the crystal, N - H?O hydrogen bonds link the molecules into sheets lying parallel to the ac plane and C - H?? interactions are also observed.
(2E)-2-(4-Fluorobenzylidene)hydrazinecarboxamide
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C8H8FN3O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020 (1) , and subtends a dihedral angle of 16.63 (9) with its attached fluorobenzene ring. In the crystal, molecules are linked by N - H?O hydrogen bonds, forming layers lying parallel to the bc plane. Fun et al. 2011.
(2E)-2-(4-Fluorobenzylidene)hydrazinecarboxamide
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C8H8FN3O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020 (1) Å, and subtends a dihedral angle of 16.63 (9)° with its attached fluorobenzene ring. In the crystal, molecules are linked by N - H?O hydrogen bonds, forming layers lying parallel to the bc plane. © Fun et al. 2011.
4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
The title compound, C30H24N4, contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) and make a dihedral angle of 73.43 (6) . The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7) with their attached phenyl rings. In the crystal, there are no significant intermolecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C - H?? interactions. Fun et al. 2011.
4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
The title compound, C30H24N4, contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant intermolecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C - H?? interactions. © Fun et al. 2011.
4-(Morpholin-4-yl)-3-(trifluoro-meth-yl)-benzonitrile
(2011) Fun, H.-K.; Asik, S.I.J.; Kumar, R.; Isloor, A.M.; Shivananda, K.N.
In the title benzonitrile compound, C 12H 11F 3N 2O, an intra-molecular C - H?F hydrogen bond generates an S(7) ring motif. The trifluoro-methyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10) with each other. In the crystal, mol-ecules are connected by inter-molecular C - H?F and C - H?O inter-actions to form R 2 2(8) ring motifs. These inter-actions also link the mol-ecules into chains parallel to the [10[ direction. Fun et al. 2011.
4-(Morpholin-4-yl)-3-(trifluoro-meth-yl)-benzonitrile
(2011) Fun, H.-K.; Asik, S.I.J.; Kumar, R.; Isloor, A.M.; Shivananda, K.N.
In the title benzonitrile compound, C 12H 11F 3N 2O, an intra-molecular C - H?F hydrogen bond generates an S(7) ring motif. The trifluoro-methyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, mol-ecules are connected by inter-molecular C - H?F and C - H?O inter-actions to form R 2 2(8) ring motifs. These inter-actions also link the mol-ecules into chains parallel to the [10[ direction. © Fun et al. 2011.
4-[3-(Biphenyl-4-yl)-1-phenyl-4,5-di-hydro-1H-pyrazol-5-yl] -3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazole dioxane monosolvate
(2012) Fun, H.-K.; Arshad, S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C37H30N4O C4H8O2, the dihedral angle between the pyrazole and dihydro-pyrazole rings is 74.09 (10) . In the crystal, the components are linked into centrosymmetric tetra-mers (two main mol-ecules and two solvent mol-ecules) by C-H?O hydrogen bonds. C-H?? and ?-? [shortest centroid-centroid separation = 3.6546 (9) ] inter-actions are also observed.
4-[3-(Biphenyl-4-yl)-1-phenyl-4,5-di-hydro-1H-pyrazol-5-yl] -3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazole dioxane monosolvate
(2012) Fun, H.-K.; Arshad, S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C37H30N4O· C4H8O2, the dihedral angle between the pyrazole and dihydro-pyrazole rings is 74.09 (10)°. In the crystal, the components are linked into centrosymmetric tetra-mers (two main mol-ecules and two solvent mol-ecules) by C-H?O hydrogen bonds. C-H?? and ?-? [shortest centroid-centroid separation = 3.6546 (9) Å] inter-actions are also observed.
Diethyl 2,6-dimethyl-4-(5-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5- dicarboxylate
(2012) Fun, H.-K.; Ooi, C.W.; Malladi, S.; Shivananda, K.N.; Isloor, A.M.
In the title compound, C 22H 25N 3O 4, the dihydro-pyridine ring adopts a flattened boat conformation. The pyrazole ring makes a dihedral angle of 29.04 (5) with the benzene ring. The mol-ecular structure is stabilized by an intra-molecular C - H?O hydrogen bond which generates an S(9) ring motif. In the crystal, molecules are linked via N - H?O and C - H?N hydrogen bonds into a two-dimensional network parallel to the ab plane. The crystal structure is further consolidated by weak C - H?? inter-actions.
Diethyl 2,6-dimethyl-4-(5-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5- dicarboxylate
(2012) Fun, H.-K.; Ooi, C.W.; Malladi, S.; Shivananda, K.N.; Isloor, A.M.
In the title compound, C 22H 25N 3O 4, the dihydro-pyridine ring adopts a flattened boat conformation. The pyrazole ring makes a dihedral angle of 29.04 (5)° with the benzene ring. The mol-ecular structure is stabilized by an intra-molecular C - H?O hydrogen bond which generates an S(9) ring motif. In the crystal, molecules are linked via N - H?O and C - H?N hydrogen bonds into a two-dimensional network parallel to the ab plane. The crystal structure is further consolidated by weak C - H?? inter-actions.
Dimethyl 2,6-dimethyl-4-(3-phenyl-1H-pyrazol-4-yl)-1,4-dihydro-pyridine-3, 5-dicarboxyl-ate
(2012) Fun, H.-K.; Arshad, S.; Malladi, S.; Shivananda, K.N.; Isloor, A.M.
In the title compound, C 20H 21N 3O 4, the 1,4-dihydro-pyridine ring adopts a boat conformation. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The pyrazole ring makes dihedral angles of 87.81 (7) and 45.09 (7) with the mean plane of the 1,4-dihydro-pyridine ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked by N-H?N, N-H?O and C-H?O hydrogen bonds into a three-dimensional network.
Dimethyl 2,6-dimethyl-4-(3-phenyl-1H-pyrazol-4-yl)-1,4-dihydro-pyridine-3, 5-dicarboxyl-ate
(2012) Fun, H.-K.; Arshad, S.; Malladi, S.; Shivananda, K.N.; Isloor, A.M.
In the title compound, C 20H 21N 3O 4, the 1,4-dihydro-pyridine ring adopts a boat conformation. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The pyrazole ring makes dihedral angles of 87.81 (7) and 45.09 (7)° with the mean plane of the 1,4-dihydro-pyridine ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked by N-H?N, N-H?O and C-H?O hydrogen bonds into a three-dimensional network.
Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4- dihydro-pyridine-3,5-dicarboxylate dihydrate
(2012) Fun, H.-K.; Ooi, C.W.; Garudachari, B.; Shivananda, K.N.; Isloor, A.M.
In the title compound, C27H27N3O5 2H2O, the dihydro-pyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) ] and makes dihedral angles of 50.42 (6) and 26.44 (6) with the benzene rings. In the crystal, molecules are linked via N - H?O, O - H?O, O - H?N and C - H?O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C - H?? interactions. 2012 International Union of Crystallography.
Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4- dihydro-pyridine-3,5-dicarboxylate dihydrate
(2012) Fun, H.-K.; Ooi, C.W.; Garudachari, B.; Shivananda, K.N.; Isloor, A.M.
In the title compound, C27H27N3O5· 2H2O, the dihydro-pyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)°with the benzene rings. In the crystal, molecules are linked via N - H?O, O - H?O, O - H?N and C - H?O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C - H?? interactions. © 2012 International Union of Crystallography.