Browsing by Author "Arshad, S."

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1-[(3-Benz-yloxy-2-nitro-phen-oxy)meth-yl]benzene
(2012) Fun, H.-K.; Arshad, S.; Ubaradka, S.R.; Shetty, P.; Isloor, A.M.
The asymmetric unit of the title compound, C20H17NO4, consists of two crystallographically independent mol-ecules. In one of the mol-ecules, the central benzene ring forms dihedral angles of 2.26 (6) and 58.68 (6) with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45 (6) . The corresponding values for the other mol-ecule are 35.17 (6), 70.97 (6) and 69.62 (6) , respectively. In the crystal, an inversion dimer linked by a pair of C-H?O hydrogen bonds occurs for one of the unique mol-ecules. C-H?? and ?-? [centroid-centroid distances = 3.7113 (8) and 3.7216 (7) ] inter-actions link the components into a three-dimensional network.
1-[(3-Benz-yloxy-2-nitro-phen-oxy)meth-yl]benzene
(2012) Fun, H.-K.; Arshad, S.; Ubaradka, S.R.; Shetty, P.; Isloor, A.M.
The asymmetric unit of the title compound, C20H17NO4, consists of two crystallographically independent mol-ecules. In one of the mol-ecules, the central benzene ring forms dihedral angles of 2.26 (6) and 58.68 (6)°with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45 (6)°. The corresponding values for the other mol-ecule are 35.17 (6), 70.97 (6) and 69.62 (6)°, respectively. In the crystal, an inversion dimer linked by a pair of C-H?O hydrogen bonds occurs for one of the unique mol-ecules. C-H?? and ?-? [centroid-centroid distances = 3.7113 (8) and 3.7216 (7) Å] inter-actions link the components into a three-dimensional network.
2,6-Dichloro-3-nitro-pyridine
(2011) Fun, H.-K.; Arshad, S.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.
The asymmetric unit of the title compound, C 5H 2C l2N 2O 2, consists of two crystallographically independent mol-ecules. The pyridine ring in each mol-ecule is essentially planar, with maximum deviations of 0.004 (4) and 0.007 (4) . Short Cl?O [3.09 (3) and 3.13 (4) ] and Cl?Cl [3.38 (12) ] contacts were observed. No significant inter-molecular inter-actions were observed in the crystal packing. Fun et al. 2011.
2,6-Dichloro-3-nitro-pyridine
(2011) Fun, H.-K.; Arshad, S.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.
The asymmetric unit of the title compound, C 5H 2C l2N 2O 2, consists of two crystallographically independent mol-ecules. The pyridine ring in each mol-ecule is essentially planar, with maximum deviations of 0.004 (4) and 0.007 (4) Å. Short Cl?O [3.09 (3) and 3.13 (4) Å] and Cl?Cl [3.38 (12) Å] contacts were observed. No significant inter-molecular inter-actions were observed in the crystal packing. © Fun et al. 2011.
2-(4-Bromo-phen-yl)-2-oxoethyl 4-bromo-benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
The asymmetric unit of the title compound, C 15H 10Br 2O 3, consists of three crystallographically independent mol-ecules (A, B and C). The phenyl rings in mol-ecules A, B and C make dihedral angles of 6.1 (3), 3.2 (2) and 54.6 (2) to each other, respectively. In the crystal, mol-ecules are linked into two-dimensional layers parallel to the ab plane by inter-molecular C - H?O hydrogen bonds. The crystal structure is further stabilized by C - H?? inter-actions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128 (8):0.872 (8). Fun et al. 2011.
2-(4-Bromo-phen-yl)-2-oxoethyl 4-bromo-benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
The asymmetric unit of the title compound, C 15H 10Br 2O 3, consists of three crystallographically independent mol-ecules (A, B and C). The phenyl rings in mol-ecules A, B and C make dihedral angles of 6.1 (3), 3.2 (2) and 54.6 (2)° to each other, respectively. In the crystal, mol-ecules are linked into two-dimensional layers parallel to the ab plane by inter-molecular C - H?O hydrogen bonds. The crystal structure is further stabilized by C - H?? inter-actions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128 (8):0.872 (8). © Fun et al. 2011.
2-(4-Chloro-phen-yl)-2-oxoethyl 2,4-di-fluoro-benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
The asymmetric unit of title compound, C 15H 9C lF 2O 3, consists of two crystallographically independent mol-ecules. The dihedral angle between the two terminal benzene rings in one mol-ecule is 7.92 (14) , while that in the other mol-ecule is 73.50 (16) . In the crystal, mol-ecules are stacked into columns along the b axis by inter-molecular C - H?O hydrogen bonds. A ?-? inter-action with a centroid-to-centroid distance of 3.747 (2) further stabilizes the crystal structure. Fun et al. 2011.
2-(4-Chloro-phen-yl)-2-oxoethyl 2,4-di-fluoro-benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
The asymmetric unit of title compound, C 15H 9C lF 2O 3, consists of two crystallographically independent mol-ecules. The dihedral angle between the two terminal benzene rings in one mol-ecule is 7.92 (14)°, while that in the other mol-ecule is 73.50 (16)°. In the crystal, mol-ecules are stacked into columns along the b axis by inter-molecular C - H?O hydrogen bonds. A ?-? inter-action with a centroid-to-centroid distance of 3.747 (2) Å further stabilizes the crystal structure. © 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-(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-Oxo-2-phenyl-ethyl benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
In the title compound, C15H12O3, the terminal phenyl rings make a dihedral angle of 86.09 (9) with each other. In the crystal, a pair of inter-molecular C - H?O hydrogen bonds link the mol-ecules, forming a dimer with an R2 2(10) ring motif.
2-Oxo-2-phenyl-ethyl benzoate
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
In the title compound, C15H12O3, the terminal phenyl rings make a dihedral angle of 86.09 (9)° with each other. In the crystal, a pair of inter-molecular C - H?O hydrogen bonds link the mol-ecules, forming a dimer with an R2 2(10) ring motif.
3-(4-Chloro-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
(2011) Fun, H.-K.; Arshad, S.; Malladi, S.; Selvam, R.; Isloor, A.M.
In the title compound, C 16H 11ClN 2O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7) . The pyrazole ring also forms dihedral angles of 24.43 (9) and 28.67 (9) with the disordered chloro-substituted benzene ring. In the crystal, mol-ecules are linked by inter-molecular C - H?O hydrogen bonds, generating R 2 1(7) and R 2 2(10) ring motifs. ?-? inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758 (1) ] further stabilize the crystal structure. Fun et al. 2011.
3-(4-Chloro-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
(2011) Fun, H.-K.; Arshad, S.; Malladi, S.; Selvam, R.; Isloor, A.M.
In the title compound, C 16H 11ClN 2O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° and 28.67 (9)° with the disordered chloro-substituted benzene ring. In the crystal, mol-ecules are linked by inter-molecular C - H?O hydrogen bonds, generating R 2 1(7) and R 2 2(10) ring motifs. ?-? inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758 (1) Å] further stabilize the crystal structure. © Fun et al. 2011.
4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl) -7-(trifluoromethyl)quinoline
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
In the title compound, C23H20F3N 5O, the piperazine ring adopts a chair conformation. The quinoline ring makes dihedral angles of 56.61 (11), 49.94 (12) and 42.58 (14) with the piperazine ring, the 1,3,4-oxadiazole ring and the benzene ring, respectively. An intra-molecular C - H?O hydrogen bond generates an S(7) ring motif. In the crystal, molecules are linked into infinite chains along the b axis by C - H?N hydrogen bonds. Fun et al. 2011.
4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl) -7-(trifluoromethyl)quinoline
(2011) Fun, H.-K.; Arshad, S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
In the title compound, C23H20F3N 5O, the piperazine ring adopts a chair conformation. The quinoline ring makes dihedral angles of 56.61 (11), 49.94 (12) and 42.58 (14)° with the piperazine ring, the 1,3,4-oxadiazole ring and the benzene ring, respectively. An intra-molecular C - H?O hydrogen bond generates an S(7) ring motif. In the crystal, molecules are linked into infinite chains along the b axis by C - H?N hydrogen bonds. © 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.
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.