Faculty Publications

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Author: search.filters.author.Isloor, A.M.Subject: search.filters.subject.single-crystal X-ray study

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Now showing 1 - 10 of 22
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    4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]amino}-1H-1,2, 4-triazole-5(4H)-thione
    (2011) Fun, H.-K.; Hemamalini, M.; Malladi, S.; Isloor, A.M.
    In the title compound, C 12H 10N 6S, a weak intra-molecular C - H?S hydrogen bond stabilizes the mol-ecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82 (8)°. The molecule adopts an E configuration with respect to the central C=N double bond. In the crystal, inter-molecular N - H?N and N - H?S hydrogen bonds link molecules into chains propagating in [20 ].
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    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.
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    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].
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    2-(4-Bromophenyl)-2-oxoethyl 4-methylbenzoate
    (2011) Fun, H.-K.; Shahani, T.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
    The title compound, C16H13BrO3, consists of a toluene ring and a bromo-benzene ring which are linked together by a 2-oxopropyl acetate group. The dihedral angle formed between the toluene and bromo-benzene rings is 80.70 (7)°. In the crystal, intermolecular C-H?O hydrogen bonds link the molecules into a three-dimensional network.
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    1-Cyclohexyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxy-lic acid
    (2011) Fun, H.-K.; Ching Kheng, C.K.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.
    In the title compound, C17H20N2O 3, the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)°with the benzene rings of its major and minor components, respectively. The cyclohexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, molecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds, generating R 2 2(8) loops..
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    2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
    (2011) Fun, H.-K.; Ching Kheng, C.K.; Vijesh, A.M.; Isloor, A.M.; Arulmoli, T.
    In the title compound, C17H15ClO5, the benzene rings forms a dihedral angle of 74.45 (10)°. In the crystal, molecules are linked into C(13) chains along [011] via C-H?O hydrogen bonds. The crystal packing also features short Cl?Cl contacts of 3.1253 (10) Å..
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    2-(2,4-Dichlorophenyl)-2-oxoethyl 4-methoxybenzoate
    (2011) Fun, H.-K.; Chia, T.S.; Shenvi, S.S.; Isloor, A.M.; Garudachari, B.
    In the title compound, C16H12Cl2O 4, the dihedral angle between the benzene rings is 70.11 (6)°. In the crystal, molecules are linked by C-H?O hydrogen bonds into a three-dimensional network. A C-H?? inter-action is also observed.
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    4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4, 5-trimethoxyphenyl)-4H-1,2,4-triazole
    (2011) Fun, H.-K.; Asik, S.I.J.; Chandrakantha, B.; Isloor, A.M.; Shetty, P.
    In the title compound, C24H20ClF2N 3O3S, the essentially planar triazole ring (r.m.s. deviation = 0.001 Å) forms dihedral angles of 22.35 (10), 68.17 (10) and 42.01 (10)°with the mean planes of the trimethoxyphenyl, chlorophenyl and difluorophenyl rings, respectively. A weak intramolecular C-H?? interaction occurs. In the crystal, molecules are linked into sheets lying parallel to the bc plane by C-H?O and C-H?N hydrogen bonds. The crystal packing also features weak C-H?? interactions.
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    2-(4-Fluorophenyl)-2-oxoethyl 4-methoxybenzoate
    (2011) Fun, H.-K.; Loh, W.-S.; Garudachari, B.; Isloor, A.M.; Satyanarayan, M.N.
    In the title compound, C16H13FO4, the dihedral angle between the benzene rings is 84.28 (8)°. In the crystal, C-H?F and C-H?O hydrogen bonds link the molecules to form a three-dimensional network. The crystal structure is consolidated by C-H?? interactions and short F?F contacts [2.7748 (14) Å] also occur..
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    N?-[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]naphtho-[2,1-b] furan-2-carbohydrazide monohydrate
    (2011) Fun, H.-K.; Loh, W.-S.; Malladi, S.; Ganesh, B.M.; Isloor, A.M.
    In the title hydrate, C23H16N4O 2·H2O, the pyrazole ring is approximately planar, with a maximum deviation of 0.023 (1) Å, and makes dihedral angles of 28.63 (6) and 46.44 (7)°with the naphtho-[2,1-b]furan ring system and the benzene ring, respectively, In the crystal, O-H?N, O-H?O, N-H?O, N-H?N, C-H?O and C-H?N hydrogen bonds link the molecules, forming sheets lying parallel to the ab plane. The crystal structure also features C-H?? interactions involving the centroids of the pyrazole and benzene rings.