(E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none

The asymmetric unit of the title compound, C(17)H(18)N(2)O, contains two independent mol­ecules. In both, the cyclo­hexane ring adopts a flattened chair conformation, and the 3- and 4-methyl­ene C atoms as well as the methyl C atoms are disordered over two positions, the occupancy of the major compo...

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Detalles Bibliográficos
Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151926/
https://www.ncbi.nlm.nih.gov/pubmed/21837019
http://dx.doi.org/10.1107/S160053681102126X
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author Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
author_sort Asiri, Abdullah M.
collection PubMed
description The asymmetric unit of the title compound, C(17)H(18)N(2)O, contains two independent mol­ecules. In both, the cyclo­hexane ring adopts a flattened chair conformation, and the 3- and 4-methyl­ene C atoms as well as the methyl C atoms are disordered over two positions, the occupancy of the major component being 68 (1)% in one mol­ecule and 64 (1)% in the other. The phenyl and pyrazole rings in both mol­ecules are approximately coplanar, the r.m.s. deviations being 0.048 and 0.015 Å, respectively. Weak inter­molecular C—H⋯O hydrogen bonding is present in the crystal structure.
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spelling pubmed-31519262011-08-11 (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none Asiri, Abdullah M. Faidallah, Hassan M. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(17)H(18)N(2)O, contains two independent mol­ecules. In both, the cyclo­hexane ring adopts a flattened chair conformation, and the 3- and 4-methyl­ene C atoms as well as the methyl C atoms are disordered over two positions, the occupancy of the major component being 68 (1)% in one mol­ecule and 64 (1)% in the other. The phenyl and pyrazole rings in both mol­ecules are approximately coplanar, the r.m.s. deviations being 0.048 and 0.015 Å, respectively. Weak inter­molecular C—H⋯O hydrogen bonding is present in the crystal structure. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3151926/ /pubmed/21837019 http://dx.doi.org/10.1107/S160053681102126X Text en © Asiri 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
Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
(E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none
title (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none
title_full (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none
title_fullStr (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none
title_full_unstemmed (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none
title_short (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl­idene]cyclo­hexa­none
title_sort (e)-2-methyl-6-[(1-phenyl-1h-pyrazol-4-yl)methyl­idene]cyclo­hexa­none
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151926/
https://www.ncbi.nlm.nih.gov/pubmed/21837019
http://dx.doi.org/10.1107/S160053681102126X
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