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

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

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, form...

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Published in:Acta crystallographica. Section E, Structure reports online Vol. 68; no. Pt 9; p. o2692
Main Authors: Rajni Swamy, V, Srinivasan, N, Ranjith Kumar, R, Krishnakumar, R V
Format: Journal Article
Language:English
Published: United States International Union of Crystallography 01-09-2012
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Organic Papers
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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.
AbstractList 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.
In the title compound, C 20 H 18 ClN 3 , the cyclo­octene ring exhibits conformational disorder of two methyl­ene groups with a site-occupation factor of 0.859 (6) for the major occupied site. In the crystal, mol­ecules 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 inter­actions into chains running along [011]. There are also C—H⋯N interactions present in the crystal.
Author Ranjith Kumar, R
Krishnakumar, R V
Srinivasan, N
Rajni Swamy, V
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BackLink https://www.ncbi.nlm.nih.gov/pubmed/22969584$$D View this record in MEDLINE/PubMed
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References 19171970 - Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55
18156677 - Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
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Snippet 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...
In the title compound, C 20 H 18 ClN 3 , the cyclo­octene ring exhibits conformational disorder of two methyl­ene groups with a site-occupation factor of 0.859...
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Title 2-Amino-4-(4-chloro-phen-yl)-5,6,7,8,9,10-hexa-hydro-benzo[8]annulene-1,3-dicarbonitrile
URI https://www.ncbi.nlm.nih.gov/pubmed/22969584
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