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1-[6-Chloro-4-(2-chloro-phen-yl)-2-methyl-3-quinol-yl]ethanone.


ABSTRACT: The title compound, C(18)H(13)Cl(2)NO, features an essentially planar quinoline ring system (r.m.s. deviation = 0.023?Å) with the acetyl [C-C-C-O torsion angle = -78.27?(17)°] and benzene [C-C-C-C torsion angle = 110.11?(14)°] substituents being twisted out of the plane; the dihedral angle formed between the mean planes of these two substituents is 58.01?(8)°. The acetyl O and benzene-bound Cl atoms lie to opposite sides of the mol-ecule. Centrosymmetric aggregates mediated by pairs of C-H?O contacts are found in the crystal structure, and these are connected into a two-dimensional array in the (01) plane via Cl?O [3.0508?(11)?Å] inter-actions.

SUBMITTER: Preeti B 

PROVIDER: S-EPMC3007567 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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1-[6-Chloro-4-(2-chloro-phen-yl)-2-methyl-3-quinol-yl]ethanone.

Preeti B B   Sarveswari S S   Vijayakumar V V   Tan Kang Wai KW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20100714 Pt 8


The title compound, C(18)H(13)Cl(2)NO, features an essentially planar quinoline ring system (r.m.s. deviation = 0.023 Å) with the acetyl [C-C-C-O torsion angle = -78.27 (17)°] and benzene [C-C-C-C torsion angle = 110.11 (14)°] substituents being twisted out of the plane; the dihedral angle formed between the mean planes of these two substituents is 58.01 (8)°. The acetyl O and benzene-bound Cl atoms lie to opposite sides of the mol-ecule. Centrosymmetric aggregates mediated by pairs of C-H⋯O con  ...[more]

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