1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone

The title compound, C(12)H(13)ClN(2)O(2), crystallizes with two independent but very similar mol­ecules (A and B) in the asymmetric unit. The pyrazole ring in each mol­ecule has an envelope conformation. The dihedral angle between the pyrazole ring mean plane and the benzene ring is 86.07 (14)° in A...

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Autores principales: Guo, Sheng-Hai, Wang, Ji-Liang, Guo, Dong-Qiang, Zhang, Xin-Ying
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/PMC3297897/
https://www.ncbi.nlm.nih.gov/pubmed/22412700
http://dx.doi.org/10.1107/S1600536812007283
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author Guo, Sheng-Hai
Wang, Ji-Liang
Guo, Dong-Qiang
Zhang, Xin-Ying
author_facet Guo, Sheng-Hai
Wang, Ji-Liang
Guo, Dong-Qiang
Zhang, Xin-Ying
author_sort Guo, Sheng-Hai
collection PubMed
description The title compound, C(12)H(13)ClN(2)O(2), crystallizes with two independent but very similar mol­ecules (A and B) in the asymmetric unit. The pyrazole ring in each mol­ecule has an envelope conformation. The dihedral angle between the pyrazole ring mean plane and the benzene ring is 86.07 (14)° in A and 85.99 (14)° in B. In the crystal, the A and B mol­ecules are linked via a pair of O—H⋯O hydrogen bonds, forming dimers. These dimers are further linked via C—H⋯O inter­actions to form –A–B–A–B– chains propagating along the c-axis direction.
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spelling pubmed-32978972012-03-12 1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone Guo, Sheng-Hai Wang, Ji-Liang Guo, Dong-Qiang Zhang, Xin-Ying Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(12)H(13)ClN(2)O(2), crystallizes with two independent but very similar mol­ecules (A and B) in the asymmetric unit. The pyrazole ring in each mol­ecule has an envelope conformation. The dihedral angle between the pyrazole ring mean plane and the benzene ring is 86.07 (14)° in A and 85.99 (14)° in B. In the crystal, the A and B mol­ecules are linked via a pair of O—H⋯O hydrogen bonds, forming dimers. These dimers are further linked via C—H⋯O inter­actions to form –A–B–A–B– chains propagating along the c-axis direction. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297897/ /pubmed/22412700 http://dx.doi.org/10.1107/S1600536812007283 Text en © Guo 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
Guo, Sheng-Hai
Wang, Ji-Liang
Guo, Dong-Qiang
Zhang, Xin-Ying
1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone
title 1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone
title_full 1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone
title_fullStr 1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone
title_full_unstemmed 1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone
title_short 1-[5-(2-Chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]­ethanone
title_sort 1-[5-(2-chloro­phen­yl)-5-hy­droxy-3-methyl-4,5-dihydro-1h-pyrazol-1-yl]­ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297897/
https://www.ncbi.nlm.nih.gov/pubmed/22412700
http://dx.doi.org/10.1107/S1600536812007283
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