Faculty Publications
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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 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 Ethyl 4-oxo-8-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate(2012) Garudachari, B.; Islor, A.M.; Satyanarayan, M.N.; Gerber, T.; Hosten, E.; Betz, R.The asymmetric unit of the title compound, C13H10F3NO3, contains two independent molecules with similar conformations. In the crystal, N-H?O hydrogen bonds link alternating independent molecules into chains in [-110]. In the chain, the quinoline planes of the independent molecules are almost perpendicular to each other, forming a dihedral angle of 89.8 (1)°. ?-? interactions between the aromatic rings of quinoline bicycles related by inversion centres [for two independent centrosymmetric dimers, the shortest centroid-centroid distances are 3.495 (1) and 3.603 (1) Å] link the hydrogen-bonded chains into layers parallel to (110). Weak C-H?F and C-H?O interactions further consolidate the crystal packing.Item Ethyl 3-(2-ethoxy-2-oxoethoxy)-6-(trifluoromethyl)furo[3,2-c]quinoline-2- carboxylate(2012) Garudachari, B.; Islor, A.M.; Vijesh, A.M.; Gerber, T.; Hosten, E.; Betz, R.In the title compound, C19H16F3NO6, a quinoline derivative featuring an annealated furan substituent, the mean planes of the carboxy substituents are at an angle of 74.3 (2)°. In the crystal, C-H?O contacts result in undulating chains along [110]. C-H?F contacts also occur. The shortest centroid-centroid distance between rings is 3.3376 (7) Å, involving two furan rings of neighbouring molecules.