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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

Similar Datasets

2-Amino-4-(4-chloro-phen-yl)-5,6-dihydro-benzo[h]quinoline-3-carbonitrile-3-amino-1-(4-chloro-phen-yl)-9,10-dihydro-phenanthrene-2,4-dicarbonitrile (1/4).

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Ethyl 3-(4-chloro-benzo-yl)-1-(4-chloro-benz-yl)-4-(4-chloro-phen-yl)-2,2-dioxo-3,4,6,7,8,8a-hexa-hydro-1H-pyrrolo-[2,1-c][1,4]thia-zine-1-carboxyl-ate.

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Crystal structure of 2-amino-4-(4-chloro-phen-yl)-1-(4-methyl-phen-yl)-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carbo-nitrile.

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5-Chloro-2-(4-meth-oxy-phen-yl)-1,3-benzo-thia-zole.

Project description:In the title compound, C14H10ClNOS, the dihedral angle between the benzothia-zole ring system and the meth-oxy-substituted benzene ring is 8.76?(16)°. In the crystal, mol-ecules are stacked in columns along the c axis and no significant inter-molecular inter-actions are observed.

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1,3-Bis(4-chloro-phen-yl)-1-methyl-1H-benzo[f]chromene.

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Project description:In the title compound, C22H19NOS, the cyclo-hexene ring of the tetra-hydro-benzo-thio-phenyl ring system adopts a slightly distorted half-chair conformation and is twisted slightly [7.5?(8)° for the major disorder component] from the mean plane of the thio-phene ring. The dihedral angles between the mean planes of the thio-phene ring and the phenyl rings are 65.7?(3) and 8.3?(4)°. The phenyl rings are twisted with respect to each other by 73.8?(7)°. Disorder was modeled for four C atoms of the cyclo-hexene ring over two sets of sites with an occupancy ratio of 0.659?(2):0.341?(2). In the crystal, a single weak C-H?O inter-action links the mol-ecules into [001] chains.

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