Faculty Publications
Permanent URI for this communityhttps://idr.nitk.ac.in/handle/123456789/18736
Publications by NITK Faculty
Browse
Search Results
Item 2-(4-Fluorophenyl)-2-oxoethyl 2-methoxy-benzoate(2012) Isloor, A.M.; Garudachari, B.; Satyanarayan, M.N.; Gerber, T.; Hosten, E.; Betz, R.In the title compound, C 16H 13FO 4, the aromatic rings enclose an angle of 73.68 (6)°. In the crystal, C - H?O and C - H?F contacts connect the mol-ecules into a three-dimensional network. The shortest inter-centroid distance between two aromatic ?-systems is 3.6679 (7) Å and is apparent between the fluorinated phenyl groups.Item (2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one(2012) Isloor, A.M.; Malladi, S.; Gerber, T.; Brecht, B.V.; Betz, R.In the title compound, C 24H 15Cl 2N 3O 3, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C - H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further ?-? interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) Å].Item Methyl 2-[(2-methylphenoxy)methyl]benzoate(2012) Isloor, A.M.; Sankappa Rai, U.; Shetty, P.; Gerber, T.; Hosten, E.; Betz, R.In the title methyl-benzoate compound, C 16H 16O3, the molecule is essentially planar (r.m.s. of all fitted non-H atoms = 0.0370 Å); the dihedral angle between the phenyl rings is 2.30 (7)°. Apart from a C - H?? inter-action, no marked inter-molecular contacts are obvious.Item 1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1, 4-dihydropyridin-3-yl]ethanone monohydrate(2012) Islor, A.M.; Malladi, S.; Sundershan, S.; Gerber, T.; Hosten, E.; Betz, R.In the title compound, C20H21N3O 2·H2O, the aza-substitued six-membered ring adopts a L4 B conformation. In the crystal, classical N-H?O, N-H?N and O-H?O hydrogen bonds connect the entities into a three-dimensional network. Intramolecular C-H?O contacts are also observed.Item Ethyl (Z)-3-(4-methylanilino)-2-[(4-methylphenyl)carbamoyl]prop-2-enoate(2012) Islor, A.M.; Garudachari, B.; Gerber, T.; Hosten, E.; Betz, R.The title compound, C20H22N2O3, is a secondary amine featuring an amide and an ester functionality in connection with a Michael system. The conformation about the C=C bond is E. Intramolecular N-H?O hydrogen bonds occur. In the crystal, C-H?O contacts connect the molecules into chains along the b-axis direction.Item 3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole(2012) Islor, A.M.; Yaradoni, R.; Garudachari, B.; Gerber, T.; Hosten, E.; Betz, R.In the title compound, C15H12ClNO, the isoxazoline ring adopts an envelope conformation with the C atom bearing an unsubstituted phenyl ring as the flap atom. The chlorinated phenyl group is nearly in-plane with the four coplanar atoms of the heterocycle and the corresponding mean planes enclosing an angle of 1.16(7)°. The unsubstituted phenyl group attached to the envelope flap atom approaches a nearly perpendicular orientation relative to the isoxazoline ring with a dihedral angle of 74.93(7)°. In the crystal, weak C-H?O, C-H?N and C-H?? interactions connect the molecules into layers perpendicular to the a axis.Item Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)- 8-(trifluoromethyl)quinoline-3-carboxylate(2012) Islor, A.M.; Garudachari, B.; Shivananda, K.N.; Gerber, T.; Hosten, E.; Betz, R.The title compound, C24H18BrF3N4O4, is a 1,2,3-triazole derivative featuring, among others, a quinoline-derived substituent. In the crystal, C-H?O, C-H?N and C-H?F contacts connect the molecules into a three-dimensional network. The shortest centroid-centroid distance between two aromatic systems is 3.896 (2) Å and is found between the two different six-membered rings of the quinoline scaffold in neighbouring molecules.Item Diethyl 2,6-dimethyl-4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-1,4- dihydropyridine-3,5-dicarboxylate(2012) Islor, A.M.; Malladi, S.; Telkar, S.; Gerber, T.; Hosten, E.; Betz, R.In the title compound, C23H27N3O4, the dihydropyridine ring adopts a 1,4 B conformation. Intramolecular C-H?O contacts occur. In the crystal, N-H?O and N-H?N hydrogen bonds and C-H?N contacts connect the molecules into strands along the a-axis direction.Item Quinolin-3-amine(2012) Islor, A.M.; Chandrakantha, B.; Shetty, P.; Gerber, T.; Hosten, E.; Betz, R.In the crystal structur of the achiral title compound, C9H 8N2, N-H?N hydrogen bonds connect the molecules into zigzag chains in [100]. Weak intermolecular N-H?? interactions further consolidate the crystal packing.Item Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4- dihydropyridine-3,5-dicarboxylate monohydrate(2012) Islor, A.M.; Vijesh, A.M.; Gerber, T.; Hosten, E.; Betz, R.In the title compound, C21H23N3O4S·H2O, the methylsulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydropyridine ring adopts an E 4 conformation. In the crystal, classical O-H?N, O-H?O and N-H?O hydrogen bonds, as well as C-H?O and C-H?S contacts, connect the molecules into a three-dimensional network.