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4-(4-Fluoro-phen-yl)-2-oxo-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbonitrile.

ABSTRACT: In the mol-ecule of the title compound, C(20)H(13)FN(2)O, the fluoro-phenyl ring is oriented at a dihedral angle of 72.76?(3)° with respect to the fused benzene ring. In the crystal structure, inter-molecular N-H?O, C-H?O and C-H?F inter-actions link the mol-ecules into chains. ?-? contacts between the quinoline and benzene rings [centroid-centroid distance = 3.918?(3)?Å] may further stabilize the structure. A weak C-H?? inter-action is also present. The O atom and two of the CH(2) groups of the quinoline ring system are disordered over two positions. The O atom was refined with occupancies of 0.489?(17) and 0.511?(17), while C and H atoms were refined with occupancies of 0.435?(13) and 0.565?(13).

SUBMITTER: Zhang J

PROVIDER: S-EPMC2969758 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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4-(4-Fluoro-phen-yl)-2-oxo-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbonitrile.

Zhang Jinpeng J Ding Jie J Yan Shu S Rong Liangce L Xu Lichun L

Acta crystallographica. Section E, Structure reports online 20090520 Pt 6

In the mol-ecule of the title compound, C(20)H(13)FN(2)O, the fluoro-phenyl ring is oriented at a dihedral angle of 72.76 (3)° with respect to the fused benzene ring. In the crystal structure, inter-molecular N-H⋯O, C-H⋯O and C-H⋯F inter-actions link the mol-ecules into chains. π-π contacts between the quinoline and benzene rings [centroid-centroid distance = 3.918 (3) Å] may further stabilize the structure. A weak C-H⋯π inter-action is also present. The O atom and two of the CH(2) groups of the ...[more]

PMID: 21583205

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