2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile

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, form...

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Autores principales: Rajni Swamy, V., Srinivasan, N., Ranjith Kumar, R., Krishnakumar, R.V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435713/
https://www.ncbi.nlm.nih.gov/pubmed/22969584
http://dx.doi.org/10.1107/S1600536812034861
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author Rajni Swamy, V.
Srinivasan, N.
Ranjith Kumar, R.
Krishnakumar, R.V.
author_facet Rajni Swamy, V.
Srinivasan, N.
Ranjith Kumar, R.
Krishnakumar, R.V.
author_sort Rajni Swamy, V.
collection PubMed
description 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.
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spelling pubmed-34357132012-09-11 2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile Rajni Swamy, V. Srinivasan, N. Ranjith Kumar, R. Krishnakumar, R.V. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435713/ /pubmed/22969584 http://dx.doi.org/10.1107/S1600536812034861 Text en © Rajni Swamy et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Rajni Swamy, V.
Srinivasan, N.
Ranjith Kumar, R.
Krishnakumar, R.V.
2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile
title 2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile
title_full 2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile
title_fullStr 2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile
title_full_unstemmed 2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile
title_short 2-Amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile
title_sort 2-amino-4-(4-chloro­phen­yl)-5,6,7,8,9,10-hexa­hydro­benzo[8]annulene-1,3-dicarbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435713/
https://www.ncbi.nlm.nih.gov/pubmed/22969584
http://dx.doi.org/10.1107/S1600536812034861
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