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(E)-2-[4-(2-Chloro-phen-yl)but-3-en-2-yl-idene]malononitrile.

ABSTRACT: There are two independent but virtually identical mol-ecules in the asymmetric unit of the title compound, C(13)H(19)ClN(2). Each mol-ecular skeleton displays an approximately planar structure except for the methyl group [the r.m.s. deviations for all 16 non-H atoms are 0.039 (mol-ecule 1) and 0.056?Å (mol-ecule 2)]. An E configuration is found about each of the C=C bonds. The crystal packing is stabilized by C-H?N inter-actions that connect the independent mol-ecules into supra-molecular chains along the c-axis direction.

SUBMITTER: Kang TR

PROVIDER: S-EPMC3201519 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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(E)-2-[4-(2-Chloro-phen-yl)but-3-en-2-yl-idene]malononitrile.

Kang Tai-Ran TR

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

There are two independent but virtually identical mol-ecules in the asymmetric unit of the title compound, C(13)H(19)ClN(2). Each mol-ecular skeleton displays an approximately planar structure except for the methyl group [the r.m.s. deviations for all 16 non-H atoms are 0.039 (mol-ecule 1) and 0.056 Å (mol-ecule 2)]. An E configuration is found about each of the C=C bonds. The crystal packing is stabilized by C-H⋯N inter-actions that connect the independent mol-ecules into supra-molecular chains ...[more]

PMID: 22065812

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