Browsing by Author "Rai, S."

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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.
2-[(4-tert-Butyl-anilino)(phen-yl)meth-yl]cyclo-hexa-none
(2009) Fun, H.-K.; Chantrapromma, S.; Rai, S.; Shetty, P.; Isloor, A.M.
In the mol-ecule of the title compound, C23H29NO, the cyclo-hexa-none ring has been distorted from the standard chair conformation by the ketone group such that part of the ring is almost flat. The remaining [(4-tert-butyl-anilino)(phen-yl)meth-yl] portion of the mol-ecule is in an equatorial position on the cyclo-hexa-none ring. The dihedral angle between the two benzene rings is 81.52 (8) . In the crystal packing, mol-ecules are linked by N - H?O hydrogen bonds into infinite one-dimensional chains along the a axis and these chains are stacked down the c axis. The crystal structure is further stabilized by weak C - H?O and C - H?? inter-actions.
2-[(4-tert-Butyl-anilino)(phen-yl)meth-yl]cyclo-hexa-none
(2009) Fun, H.-K.; Chantrapromma, S.; Rai, S.; Shetty, P.; Isloor, A.M.
In the mol-ecule of the title compound, C23H29NO, the cyclo-hexa-none ring has been distorted from the standard chair conformation by the ketone group such that part of the ring is almost flat. The remaining [(4-tert-butyl-anilino)(phen-yl)meth-yl] portion of the mol-ecule is in an equatorial position on the cyclo-hexa-none ring. The dihedral angle between the two benzene rings is 81.52 (8)°. In the crystal packing, mol-ecules are linked by N - H?O hydrogen bonds into infinite one-dimensional chains along the a axis and these chains are stacked down the c axis. The crystal structure is further stabilized by weak C - H?O and C - H?? inter-actions.
3-(2,4-Dichloro-phen-yl)-5-methyl-1,2,4-oxadiazole
(2010) Fun, H.-K.; Rosli, M.M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C9H6Cl2N 2O, the dihedral angle between the oxadiazole and benzene rings is 1.7 (2) . In the crystal, the mol-ecules are linked into chains along the b axis by short inter-molecular Cl?O contacts [3.019 (3) ].
3-(2,4-Dichloro-phen-yl)-5-methyl-1,2,4-oxadiazole
(2010) Fun, H.-K.; Rosli, M.M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C9H6Cl2N 2O, the dihedral angle between the oxadiazole and benzene rings is 1.7 (2)°. In the crystal, the mol-ecules are linked into chains along the b axis by short inter-molecular Cl?O contacts [3.019 (3) Å].
3-(2,4-Dichloro-phen-yl)-5-phenyl-1,2,4-oxadiazole
(2010) Fun, H.-K.; Rosli, M.M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C14H8Cl2N 2O, the dihedral angles between the plane of the oxadiazole ring and those of the benzene rings are 2.3 (1) and 9.5 (1) . In the crystal, mol-ecules are linked into chains along the c axis by C - H?Cl inter-actions. These chains are stacked along the a axis.
3-(2,4-Dichloro-phen-yl)-5-phenyl-1,2,4-oxadiazole
(2010) Fun, H.-K.; Rosli, M.M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C14H8Cl2N 2O, the dihedral angles between the plane of the oxadiazole ring and those of the benzene rings are 2.3 (1) and 9.5 (1)°. In the crystal, mol-ecules are linked into chains along the c axis by C - H?Cl inter-actions. These chains are stacked along the a axis.
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
(2010) Fun, H.-K.; Yeap, C.S.; Rai, S.; Isloor, A.M.; Shetty, P.
The asymmetric unit of the title compound, C7H 10N2O4S, comprises of two independent mol-ecules (A and B) which differ in the orientation of the methyl-sulfonyl group [C - S - C - N = 157.98 (13) in mol-ecule A and 6.09 (18) in mol-ecule B]. In the crystal structure, mol-ecules of type A are linked into chains along the a axis by inter-molecular C - H?O hydrogen bonds. The B mol-ecules are linked to these chains by C - H?O hydrogen bonds.
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
(2010) Fun, H.-K.; Yeap, C.S.; Rai, S.; Isloor, A.M.; Shetty, P.
The asymmetric unit of the title compound, C7H 10N2O4S, comprises of two independent mol-ecules (A and B) which differ in the orientation of the methyl-sulfonyl group [C - S - C - N = 157.98 (13)° in mol-ecule A and 6.09 (18)° in mol-ecule B]. In the crystal structure, mol-ecules of type A are linked into chains along the a axis by inter-molecular C - H?O hydrogen bonds. The B mol-ecules are linked to these chains by C - H?O hydrogen bonds.
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.
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.
(4-Chloro-2-fluoro-phen-yl)[1-(2,6-difluoro-phen-yl)but-3-en-yl]amine
(2009) Fun, H.-K.; Rai, S.; Shetty, P.; Isloor, A.M.; Chantrapromma, S.
In the mol-ecule of the title homoallylic amine, C16H 13ClF3N, the dihedral angle between the two benzene rings is 84.63 (4) . Weak intra-molecular N - H?F hydrogen bonds generate S(6) and S(5) ring motifs. In the crystal structure, weak inter-molecuar N - H?F hydrogen bonds link mol-ecules into centrosymmetric dimers which are arranged in mol-ecular sheets parallel to the ac plane.
(4-Chloro-2-fluoro-phen-yl)[1-(2,6-difluoro-phen-yl)but-3-en-yl]amine
(2009) Fun, H.-K.; Rai, S.; Shetty, P.; Isloor, A.M.; Chantrapromma, S.
In the mol-ecule of the title homoallylic amine, C16H 13ClF3N, the dihedral angle between the two benzene rings is 84.63 (4)°. Weak intra-molecular N - H?F hydrogen bonds generate S(6) and S(5) ring motifs. In the crystal structure, weak inter-molecuar N - H?F hydrogen bonds link mol-ecules into centrosymmetric dimers which are arranged in mol-ecular sheets parallel to the ac plane.
5-(2,4-Dichlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
(2010) Fun, H.-K.; Rosli, M.M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C14H7Cl2N 3O3, the dichlorophenyl and nitrophenyl rings form dihedral angles of 5.4 (2) and 4.0 (2) , respectively, with the oxadiazole ring. The nitro group is twisted out of the attached benzene ring by a dihedral angle of 10.4 (3) . In the crystal, molecules are linked into a chain along the a axis by C - H?N hydrogen bonds. 2010.
5-(2,4-Dichlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
(2010) Fun, H.-K.; Rosli, M.M.; Rai, S.; Isloor, A.M.; Shetty, P.
In the title compound, C14H7Cl2N 3O3, the dichlorophenyl and nitrophenyl rings form dihedral angles of 5.4 (2) and 4.0 (2)°, respectively, with the oxadiazole ring. The nitro group is twisted out of the attached benzene ring by a dihedral angle of 10.4 (3)°. In the crystal, molecules are linked into a chain along the a axis by C - H?N hydrogen bonds. © 2010.
5-Azido-4-benz-yloxy-2-meth-oxy-6-methyl-perhydro-pyran-3-ol
(2009) Fun, H.-K.; Loh, W.-S.; Rai, S.; Shetty, P.; Isloor, A.M.
In the title compound, C14H19N3O 4, the perhydro-pyran ring adopts a chair conformation. An intra-molecular C - H?O hydrogen bond generates an S(6) ring motif. In the crystal packing, molecules are linked by O - H?O hydrogen bonds, forming infinite chains along [100]. 2009 Fun et al.
5-Azido-4-benz-yloxy-2-meth-oxy-6-methyl-perhydro-pyran-3-ol
(2009) Fun, H.-K.; Loh, W.-S.; Rai, S.; Shetty, P.; Isloor, A.M.
In the title compound, C14H19N3O 4, the perhydro-pyran ring adopts a chair conformation. An intra-molecular C - H?O hydrogen bond generates an S(6) ring motif. In the crystal packing, molecules are linked by O - H?O hydrogen bonds, forming infinite chains along [100]. © 2009 Fun et al.