Faculty Publications
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Item 4-(Morpholin-4-yl)-3-(trifluoro-meth-yl)-benzonitrile(2011) Fun, H.-K.; Asik, S.I.J.; Kumar, R.; Isloor, A.M.; Shivananda, K.N.In the title benzonitrile compound, C 12H 11F 3N 2O, an intra-molecular C - H?F hydrogen bond generates an S(7) ring motif. The trifluoro-methyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, mol-ecules are connected by inter-molecular C - H?F and C - H?O inter-actions to form R 2 2(8) ring motifs. These inter-actions also link the mol-ecules into chains parallel to the [10[ direction. © Fun et al. 2011.Item N-(5-Bromopyridin-2-yl)acetamide(2011) Fun, H.-K.; Shahani, T.; Kumar, R.; Isloor, A.M.; Shivananda, K.N.The asymmetric unit of the title compound, C 7H 7BrN 2O, contains two molecules, in one of which the methyl H atoms are disorderd over two orientations in a 0.57 (3):0.43 (3) ratio. The dihedral angles between the pyridine rings and the acetamide groups are 7.27 (11) and 8.46 (11)°. In the crystal, molecules are linked by N - H?O and C - H?O hydrogen bonds generating bifurcated R 2 1(5) ring motifs, which in turn lead to [110] chains.Item Synthesis of some new pyrazolone derivatives as potent antimicrobial agents(2011) Vijesh, A.M.; Isloor, A.M.; Isloor, S.; Shivananda, K.N.; Shyma, P.C.; Arulmoli, T.Invasive microbial infections are major problems around the world, especially in immuno compromised patients. The recent expansion of antimicrobial drug research has occurred because there is a critical need for new antimicrobial agents to treat these life threatening invasive infections. In the present study three series of new substituted pyrazolone derivatives (5a-f, 6a-f and 8a,b) were synthesized by the Knoevenagel condensation reaction of pyrazolones (3a,b) with various substituted carbaldehydes (4a-f, 7). These newly synthesized compounds were characterized by IR, NMR, mass spectra and also by C, H, N analyses. New compounds were screened for their antimicrobial studies against S. aureus, B. subtilis, E. coli and P. aeruginosa. The results revealed that compounds 5c and 6c having 2,5-dichlorothiophene substituent showed significant antibacterial activity against all tested microorganisms as compared to the standard drug Ceftriaxone.Item 2-(4-Chlorophenyl)-2-oxoethyl 4-hydroxybenzoate(2011) Fun, H.-K.; Shahani, T.; Garudachari, B.; Isloor, A.M.; Shivananda, K.N.The title compound, C 15H 11ClO 4, consists of a chloro-benzene ring and a phenol ring which are linked together by a 1,4-dioxo-2-oxabutane-1,4-diyl group. The dihedral angle between the chloro-benzene and phenol rings is 65.70 (11)°. In the crystal, intermolecular O-H?O hydrogen bonds link the molecules into chains along [010].Item Hantzsch reaction: Synthesis and characterization of some new 1,4-dihydropyridine derivatives as potent antimicrobial and antioxidant agents(2011) Vijesh, A.M.; Isloor, A.M.; Peethambar, S.K.; Shivananda, K.N.; Arulmoli, T.; Isloor, N.In the present study two new series of Hantzsch 1,4-dihydropyridine derivatives (1,4-DHPs) containing substituted pyrazole moiety (4a-f and 5a-f) were synthesized by the reaction of 3-aryl-1H-pyrazole-4-carbaldehydes with 1,3-dicarbonylcompounds (ethylacetoacetate and methylacetoacetate) and ammonium acetate. The newly synthesized compounds were characterized by IR, NMR, mass spectral study and also by C, H, N analyses. New compounds were screened for their antimicrobial activity by well plate method (zone of inhibition). Antioxidant studies of the synthesized compounds were also performed by measuring the DPPH radical scavenging assay. Compounds 4c, 4e and 4f were found to be potent antibacterial and antioxidant agents. The acute oral toxicity study for the compounds 4c, 4e and 4f were carried out and the experimental studies revealed that compounds 4c and 4e is safe up to 3000 mg/kg and no death of animals were recorded. However in compound 4f, we found mortality above 2000 mg and also significant behavioral changes in experimental animals. © 2011 Elsevier Masson SAS. All rights reserved.Item 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.Item 4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.The title compound, C30H24N4, contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant intermolecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C - H?? interactions. © Fun et al. 2011.Item (E)-1-(2,4-Dichlorophenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one(2011) Fun, H.-K.; Ching Kheng, C.K.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.In the title molecule, C24H16Cl2N 2O, the dihedral angles between the pyrazole ring and its N- and C-bonded phenyl rings are 7.06 (10) and 53.15 (10)°, respectively. The dihedral angle between the two pendant rings is 52.32 (10)°. The molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, inversion dimers occur in which each molecule is linked to the other by two C - H?O hydrogen bonds to the same acceptor O atom. There are also short Cl?Cl contacts [3.3492 (9) Å] and C - H?? interactions. © Fun et al. 2011.Item (E)-3-[3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-(2,4-dichlorophenyl) prop-2-en-1-one(2011) Fun, H.-K.; Ching Kheng, C.K.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.In the title molecule, C24H15BrCl2N 2O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromo-benzene (B) rings are 10.34 (16) and 40.95 (15)°, respectively. The dihedral angle between rings A and B is 56.89 (17)°. The title molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, molecules are linked into inversion dimers by pairs of C - H?O hydrogen bonds, generating R 2 2(14) loops. The crystal structure is further consolidated by C - H?? interactions. © Fun et al. 2011.Item (2E)-2-(4-Fluorobenzylidene)hydrazinecarboxamide(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.In the title compound, C8H8FN3O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020 (1) Å, and subtends a dihedral angle of 16.63 (9)° with its attached fluorobenzene ring. In the crystal, molecules are linked by N - H?O hydrogen bonds, forming layers lying parallel to the bc plane. © Fun et al. 2011.