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Crystal structure of 2,2-di-chloro-1-(piperidin-1-yl)butane-1,3-dione.

ABSTRACT: In the title compound, C9H13Cl2NO2, the piperidine ring shows a chair conformation and the O-C-C-O torsion angle between the carbonyl groups is 183.6 (4)°. In the crystal, mol-ecules are linked into an infinite layer along the ab plane by a bifurcated C-H?O hydrogen bond between the carbonyl O atom adjacent to the methyl group and one of the methyl-ene groups next to nitro-gen and an additional hydrogen bond of the C-H?Cl type. These layers are connected into a three-dimensional supra-molecular arrangement by O?Cl contacts [2.8979?(12) and 3.1300?(12)?Å].

SUBMITTER: Schwierz M

PROVIDER: S-EPMC4331874 | biostudies-literature | 2015 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of 2,2-di-chloro-1-(piperidin-1-yl)butane-1,3-dione.

Schwierz Markus M Görls Helmar H Imhof Wolfgang W

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title compound, C9H13Cl2NO2, the piperidine ring shows a chair conformation and the O-C-C-O torsion angle between the carbonyl groups is 183.6 (4)°. In the crystal, mol-ecules are linked into an infinite layer along the ab plane by a bifurcated C-H⋯O hydrogen bond between the carbonyl O atom adjacent to the methyl group and one of the methyl-ene groups next to nitro-gen and an additional hydrogen bond of the C-H⋯Cl type. These layers are connected into a three-dimensional supra-molecular ...[more]

PMID: 25705483

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