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2-Amino-4-(4-chloro-phen-yl)-5,6,7,8,9,10-hexa-hydro-benzo[8]annulene-1,3-dicarbonitrile.

ABSTRACT: In the title compound, C(20)H(18)ClN(3), the cyclo-octene ring exhibits conformational disorder of two methyl-ene groups with a site-occupation factor of 0.859?(6) for the major occupied site. In the crystal, mol-ecules are connected into inversion dimers via pairs of weak N-H?N hydrogen bonds, forming an R(2) (2)(12) graph-set motif. These dimers are further connected via weak N-H?Cl inter-actions into chains running along [011]. There are also C-H?N interactions present in the crystal.

SUBMITTER: Rajni Swamy V

PROVIDER: S-EPMC3435713 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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2-Amino-4-(4-chloro-phen-yl)-5,6,7,8,9,10-hexa-hydro-benzo[8]annulene-1,3-dicarbonitrile.

Rajni Swamy V V Srinivasan N N Ranjith Kumar R R Krishnakumar R V RV

Acta crystallographica. Section E, Structure reports online 20120811 Pt 9

In the title compound, C(20)H(18)ClN(3), the cyclo-octene ring exhibits conformational disorder of two methyl-ene groups with a site-occupation factor of 0.859 (6) for the major occupied site. In the crystal, mol-ecules are connected into inversion dimers via pairs of weak N-H⋯N hydrogen bonds, forming an R(2) (2)(12) graph-set motif. These dimers are further connected via weak N-H⋯Cl inter-actions into chains running along [011]. There are also C-H⋯N interactions present in the crystal. ...[more]

PMID: 22969584

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