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1-(6,8-Dibromo-2-methyl-quinolin-3-yl)ethanone.

ABSTRACT: Two independent mol-ecules,1 and 2, with similar conformations comprise the asymmetric unit in the title compound, C(12)H(9)Br(2)NO. The major difference between the mol-ecules relates to the relative orientation of the ketone-methyl groups [the C-C-C-C torsion angles are -1.7?(6) and -16.8?(6)° for mol-ecules 1 and 2, respectively]; in each case, the ketone O atom is directed towards the ring-bound methyl group. The crystal packing comprises layers of mol-ecules, sustained by C-H?O and ?-? {ring centroid(C(6)) of molecule 2 with NC(5) of molecule 1 [3.584?(3)?Å] and NC(5) of molecule 2 [3.615?(3)?Å]} interactions. C-H?Br contacts also occur.

SUBMITTER: Prasath R

PROVIDER: S-EPMC3201233 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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1-(6,8-Dibromo-2-methyl-quinolin-3-yl)ethanone.

Prasath R R Bhavana P P Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110917 Pt 10

Two independent mol-ecules,1 and 2, with similar conformations comprise the asymmetric unit in the title compound, C(12)H(9)Br(2)NO. The major difference between the mol-ecules relates to the relative orientation of the ketone-methyl groups [the C-C-C-C torsion angles are -1.7 (6) and -16.8 (6)° for mol-ecules 1 and 2, respectively]; in each case, the ketone O atom is directed towards the ring-bound methyl group. The crystal packing comprises layers of mol-ecules, sustained by C-H⋯O and π-π {rin ...[more]

PMID: 22058780

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