Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one

In the the asymmetric unit of the title compound, C(19)H(15)ClN(2)O(2), there are two symmetry-independent mol­ecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00 (12) and 23.42 (10)°]. A strong int...

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Autores principales: Shahid, Muhammad, Munawar, Munawar Ali, Tahir, Muhammad Nawaz, Salim, Muhammad, Malik, Khizar Iqbal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459345/
https://www.ncbi.nlm.nih.gov/pubmed/26090184
http://dx.doi.org/10.1107/S205698901500883X
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author Shahid, Muhammad
Munawar, Munawar Ali
Tahir, Muhammad Nawaz
Salim, Muhammad
Malik, Khizar Iqbal
author_facet Shahid, Muhammad
Munawar, Munawar Ali
Tahir, Muhammad Nawaz
Salim, Muhammad
Malik, Khizar Iqbal
author_sort Shahid, Muhammad
collection PubMed
description In the the asymmetric unit of the title compound, C(19)H(15)ClN(2)O(2), there are two symmetry-independent mol­ecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00 (12) and 23.42 (10)°]. A strong intra­molecular O—H⋯O hydrogen bond with the S (6) motif is observed in both mol­ecules. Pairs of π–π stacking inter­actions between the phenyl groups [centroid–centroid distances = 3.6627 (13) and 3.7156 (14) Å] assemble the mol­ecules into two types of centrosymmetric dimers. Weak C—H⋯O inter­actions connect mol­ecules into chains along the b axis.
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spelling pubmed-44593452015-06-18 Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one Shahid, Muhammad Munawar, Munawar Ali Tahir, Muhammad Nawaz Salim, Muhammad Malik, Khizar Iqbal Acta Crystallogr E Crystallogr Commun Data Reports In the the asymmetric unit of the title compound, C(19)H(15)ClN(2)O(2), there are two symmetry-independent mol­ecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00 (12) and 23.42 (10)°]. A strong intra­molecular O—H⋯O hydrogen bond with the S (6) motif is observed in both mol­ecules. Pairs of π–π stacking inter­actions between the phenyl groups [centroid–centroid distances = 3.6627 (13) and 3.7156 (14) Å] assemble the mol­ecules into two types of centrosymmetric dimers. Weak C—H⋯O inter­actions connect mol­ecules into chains along the b axis. International Union of Crystallography 2015-05-13 /pmc/articles/PMC4459345/ /pubmed/26090184 http://dx.doi.org/10.1107/S205698901500883X Text en © Shahid et al. 2015 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 Data Reports
Shahid, Muhammad
Munawar, Munawar Ali
Tahir, Muhammad Nawaz
Salim, Muhammad
Malik, Khizar Iqbal
Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one
title Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one
title_full Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one
title_fullStr Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one
title_full_unstemmed Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one
title_short Crystal structure of (4Z)-4-[(2E)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one
title_sort crystal structure of (4z)-4-[(2e)-3-(4-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-5-methyl-2-phenyl-1h-pyrazol-5(4h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459345/
https://www.ncbi.nlm.nih.gov/pubmed/26090184
http://dx.doi.org/10.1107/S205698901500883X
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