3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one

In the title compound, C(14)H(16)ClNO, the dihedral angle between the benzene ring and the conjugated part of the cyclo­hexene ring is 61.7 (2)°. Part of the cyclo­hexene ring and one of the attached methyl groups are disordered over two orientations with occupancies of 0.602 (7) and 0.398 (7). In a...

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Autores principales: North, Henry, Wutoh, Kwame, Odoom, M’egya K., Karla, Pradeep, Scott, Kenneth R., Butcher, Ray J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089366/
https://www.ncbi.nlm.nih.gov/pubmed/21754564
http://dx.doi.org/10.1107/S1600536811005678
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author North, Henry
Wutoh, Kwame
Odoom, M’egya K.
Karla, Pradeep
Scott, Kenneth R.
Butcher, Ray J.
author_facet North, Henry
Wutoh, Kwame
Odoom, M’egya K.
Karla, Pradeep
Scott, Kenneth R.
Butcher, Ray J.
author_sort North, Henry
collection PubMed
description In the title compound, C(14)H(16)ClNO, the dihedral angle between the benzene ring and the conjugated part of the cyclo­hexene ring is 61.7 (2)°. Part of the cyclo­hexene ring and one of the attached methyl groups are disordered over two orientations with occupancies of 0.602 (7) and 0.398 (7). In addition, the crystal studied was a racemic twin [Flack parameter = 0.58 (4)]. In the crystal, the mol­ecules are linked into chains in the b-axis direction by inter­molecular N—H⋯O hydrogen bonds. C—H⋯O and C—H⋯Cl inter­actions are also observed.
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spelling pubmed-30893662011-07-13 3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one North, Henry Wutoh, Kwame Odoom, M’egya K. Karla, Pradeep Scott, Kenneth R. Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(16)ClNO, the dihedral angle between the benzene ring and the conjugated part of the cyclo­hexene ring is 61.7 (2)°. Part of the cyclo­hexene ring and one of the attached methyl groups are disordered over two orientations with occupancies of 0.602 (7) and 0.398 (7). In addition, the crystal studied was a racemic twin [Flack parameter = 0.58 (4)]. In the crystal, the mol­ecules are linked into chains in the b-axis direction by inter­molecular N—H⋯O hydrogen bonds. C—H⋯O and C—H⋯Cl inter­actions are also observed. International Union of Crystallography 2011-04-29 /pmc/articles/PMC3089366/ /pubmed/21754564 http://dx.doi.org/10.1107/S1600536811005678 Text en © North et al. 2011 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
North, Henry
Wutoh, Kwame
Odoom, M’egya K.
Karla, Pradeep
Scott, Kenneth R.
Butcher, Ray J.
3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one
title 3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one
title_full 3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one
title_fullStr 3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one
title_full_unstemmed 3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one
title_short 3-(4-Chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one
title_sort 3-(4-chloro­anilino)-2,5-dimethyl­cyclo­hex-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089366/
https://www.ncbi.nlm.nih.gov/pubmed/21754564
http://dx.doi.org/10.1107/S1600536811005678
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