Browsing by Author "Hemamalini, M."

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2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-c] pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole
(2011) Fun, H.-K.; Hemamalini, M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C 18H 13BrN 4O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methylene-C atom of the NCH 2CH 2 unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thiophene rings are 69.34 (13) 5.66 (13) and 68.63 (13) , respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydropyridine rings is 54.76 (13) . The molecule is stabilized by an intramolecular C-H?N interaction. In the crystal, adjacent molecules are connected via bifurcated C-H?(N,O) hydrogen bonds, forming a chain along the b axis.
2-(5-Bromopyridin-3-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-c] pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole
(2011) Fun, H.-K.; Hemamalini, M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C 18H 13BrN 4O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methylene-C atom of the NCH 2CH 2 unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thiophene rings are 69.34 (13) 5.66 (13) and 68.63 (13)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydropyridine rings is 54.76 (13)°. The molecule is stabilized by an intramolecular C-H?N interaction. In the crystal, adjacent molecules are connected via bifurcated C-H?(N,O) hydrogen bonds, forming a chain along the b axis.
2-(Biphenyl-4-yl)-5-[3-(4,5,6,7-tetra-hydrothieno[3,2-c] pyridine-5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole
(2011) Fun, H.-K.; Hemamalini, M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title mol-ecule, C 25H 19N 3O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation. The dihedral angle between the least-squares plane through the tetra-hydro-pyridine ring and two thio-phene and two benzene rings are 6.25 (9), 89.49 (9), 76.43 (9) and 84.93 (8) , respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydro-pyridine rings is 81.14 (9) . In the crystal, adjacent mol-ecules are connected via weak C-H?N hydrogen bonds, forming a chain along the b axis.
2-(Biphenyl-4-yl)-5-[3-(4,5,6,7-tetra-hydrothieno[3,2-c] pyridine-5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole
(2011) Fun, H.-K.; Hemamalini, M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title mol-ecule, C 25H 19N 3O 3S 3, the tetra-hydro-pyridine ring adopts a half-chair conformation. The dihedral angle between the least-squares plane through the tetra-hydro-pyridine ring and two thio-phene and two benzene rings are 6.25 (9), 89.49 (9), 76.43 (9) and 84.93 (8)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetrahydro-pyridine rings is 81.14 (9)°. In the crystal, adjacent mol-ecules are connected via weak C-H?N hydrogen bonds, forming a chain along the b axis.
(2E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-phenyl-prop-2-en-1-one
(2011) Fun, H.-K.; Hemamalini, M.; Malladi, S.; Poojari, P.; Isloor, A.M.
In the title compound, C 24H 18N 2O, the pyrazole ring is essentially planar [maximum deviation = 0.004 (1) ] and makes dihedral angles of 18.07 (4), 48.60 (4) and 9.13 (5) with the phenyl rings. In the crystal, adjacent mol-ecules are connected via inter-molecular C - H?O hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by weak C - H?? and ?-? inter-actions, with centroid-centroid distances of 3.6808 (5) . Fun et al. 2011.
(2E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-phenyl-prop-2-en-1-one
(2011) Fun, H.-K.; Hemamalini, M.; Malladi, S.; Poojari, P.; Isloor, A.M.
In the title compound, C 24H 18N 2O, the pyrazole ring is essentially planar [maximum deviation = 0.004 (1) Å] and makes dihedral angles of 18.07 (4), 48.60 (4) and 9.13 (5)° with the phenyl rings. In the crystal, adjacent mol-ecules are connected via inter-molecular C - H?O hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by weak C - H?? and ?-? inter-actions, with centroid-centroid distances of 3.6808 (5) Å. © Fun et al. 2011.
4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]amino}-1H-1,2, 4-triazole-5(4H)-thione
(2011) Fun, H.-K.; Hemamalini, M.; Malladi, S.; Isloor, A.M.
In the title compound, C 12H 10N 6S, a weak intra-molecular C - H?S hydrogen bond stabilizes the mol-ecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82 (8) . The molecule adopts an E configuration with respect to the central C=N double bond. In the crystal, inter-molecular N - H?N and N - H?S hydrogen bonds link molecules into chains propagating in [20 ].
4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]amino}-1H-1,2, 4-triazole-5(4H)-thione
(2011) Fun, H.-K.; Hemamalini, M.; Malladi, S.; Isloor, A.M.
In the title compound, C 12H 10N 6S, a weak intra-molecular C - H?S hydrogen bond stabilizes the mol-ecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82 (8)°. The molecule adopts an E configuration with respect to the central C=N double bond. In the crystal, inter-molecular N - H?N and N - H?S hydrogen bonds link molecules into chains propagating in [20 ].
Diethyl 4-[2-(4-meth-oxyphenyl)-1H-pyrazol-3yl]-2,6-dimethyl-1,4-dihydro- pyridine-3,5-dicarboxylate
(2011) Fun, H.-K.; Hemamalini, M.; Vijesh, A.M.; Isloor, A.M.; Malladi, S.
In the title compound, C23H27N3O 5, the pyrazole ring is inclined at dihedral angles of 38.16 (6) and 80.80 (6) , respectively, to the least-squares planes of the benzene and dihydro-pyridine rings. In the crystal, adjacent molecules are linked via a pair of N-H?N hydrogen bonds, forming an inversion dimer. The dimers are stacked in a column along the a axis through N-H?O hydrogen bonds. Intra- and intermolecular C-H?N and C-H?O hydrogen bonds are also observed.
Diethyl 4-[2-(4-meth-oxyphenyl)-1H-pyrazol-3yl]-2,6-dimethyl-1,4-dihydro- pyridine-3,5-dicarboxylate
(2011) Fun, H.-K.; Hemamalini, M.; Vijesh, A.M.; Isloor, A.M.; Malladi, S.
In the title compound, C23H27N3O 5, the pyrazole ring is inclined at dihedral angles of 38.16 (6) and 80.80 (6)°, respectively, to the least-squares planes of the benzene and dihydro-pyridine rings. In the crystal, adjacent molecules are linked via a pair of N-H?N hydrogen bonds, forming an inversion dimer. The dimers are stacked in a column along the a axis through N-H?O hydrogen bonds. Intra- and intermolecular C-H?N and C-H?O hydrogen bonds are also observed.
Diethyl 4-[5-(biphenyl-4-yl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro- pyridine-3,5-dicarboxyl-ate ethanol monosolvate
(2011) Fun, H.-K.; Hemamalini, M.; Vijesh, A.M.; Isloor, A.M.; Arulmoli, T.
In the title compound, C 28H 29N 3O 4 C 2H 6O, the benzene ring makes dihedral angles of 33.72 (13) and 32.86 (13) , respectively, with the adjacent pyrazole and phenyl rings. In the crystal, the components are connected via inter-molecular N - H?O, N - H?N, O - H?O and C - H?O hydrogen bonds, forming a layer parallel to the bc plane. Fun et al. 2011.
Diethyl 4-[5-(biphenyl-4-yl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro- pyridine-3,5-dicarboxyl-ate ethanol monosolvate
(2011) Fun, H.-K.; Hemamalini, M.; Vijesh, A.M.; Isloor, A.M.; Arulmoli, T.
In the title compound, C 28H 29N 3O 4·C 2H 6O, the benzene ring makes dihedral angles of 33.72 (13) and 32.86 (13)°, respectively, with the adjacent pyrazole and phenyl rings. In the crystal, the components are connected via inter-molecular N - H?O, N - H?N, O - H?O and C - H?O hydrogen bonds, forming a layer parallel to the bc plane. © Fun et al. 2011.
Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate
(2010) Fun, H.-K.; Hemamalini, M.; Padaki, M.; Isloor, A.M.
In the title mol-ecule, C19H24O6, the cyclohexa-none ring adopts a chair conformation. The dihedral angle between the phenyl ring and the best plane through the six atoms of the cyclohexa-none ring is 89.68 (7) . In the crystal structure, mol-ecules are linked via pairs of inter-molecular O - H?O hydrogen bonds into centrosymmetric dimers and these dimers are connected by C - H?O inter-actions into columns down the a axis.
Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate
(2010) Fun, H.-K.; Hemamalini, M.; Padaki, M.; Isloor, A.M.
In the title mol-ecule, C19H24O6, the cyclohexa-none ring adopts a chair conformation. The dihedral angle between the phenyl ring and the best plane through the six atoms of the cyclohexa-none ring is 89.68 (7)°. In the crystal structure, mol-ecules are linked via pairs of inter-molecular O - H?O hydrogen bonds into centrosymmetric dimers and these dimers are connected by C - H?O inter-actions into columns down the a axis.