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2-[3-((Z)-2-{4-[Bis(2-chloro-eth-yl)amino]-phen-yl}ethen-yl)-5,5-dimethyl-cyclo-hex-2-en-1-yl-idene]propane-dinitrile.

ABSTRACT: The highly conjugated title compound, C(23)H(25)Cl(2)N(3), is nearly planar (the mean deviation from the plane being 0.049?Å), except for the -C(CH(3))(2) group on the cyclo-hexene ring and the two CH(2)Cl groups. The cyclo-hexene ring has an envelope configuration. In the crystal, the packing is stabilized by C-H?Cl inter-actions and C-H?? inter-actions involving the benzene ring.

SUBMITTER: Liu L

PROVIDER: S-EPMC3050295 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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2-[3-((Z)-2-{4-[Bis(2-chloro-eth-yl)amino]-phen-yl}ethen-yl)-5,5-dimethyl-cyclo-hex-2-en-1-yl-idene]propane-dinitrile.

Liu Li L Shao Ying Y Shi Jie-Ping JP Hu Hong-Wen HW Lu Guo-Yuan GY

Acta crystallographica. Section E, Structure reports online 20101215 Pt 1

The highly conjugated title compound, C(23)H(25)Cl(2)N(3), is nearly planar (the mean deviation from the plane being 0.049 Å), except for the -C(CH(3))(2) group on the cyclo-hexene ring and the two CH(2)Cl groups. The cyclo-hexene ring has an envelope configuration. In the crystal, the packing is stabilized by C-H⋯Cl inter-actions and C-H⋯π inter-actions involving the benzene ring. ...[more]

PMID: 21522635

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