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Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
The title compound, C(18)H(14)Cl(2)N(2)O(2), crystallizes with two molecules, A and B, in the asymmetric unit. In molecule A, the dihedral angles between the central pyrazole ring and pendant dichlorobenzene and p-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In molecule B, the equiv...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257223/ https://www.ncbi.nlm.nih.gov/pubmed/25484715 http://dx.doi.org/10.1107/S160053681402114X |
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author | Sharma, Naresh Parihar, Sanjay Jadeja, R. N. Kant, Rajni Gupta, Vivek K. |
author_facet | Sharma, Naresh Parihar, Sanjay Jadeja, R. N. Kant, Rajni Gupta, Vivek K. |
author_sort | Sharma, Naresh |
collection | PubMed |
description | The title compound, C(18)H(14)Cl(2)N(2)O(2), crystallizes with two molecules, A and B, in the asymmetric unit. In molecule A, the dihedral angles between the central pyrazole ring and pendant dichlorobenzene and p-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In molecule B, the equivalent angles are 27.45 (16) and 40.45 (18)°, respectively. Each molecule features an intramolecular O—H⋯O hydrogen bond, which closes an S(6) ring and molecule A also features a C—H⋯O interaction. In the crystal, weak C—H⋯π interactions and aromatic π–π stacking [shortest centroid–centroid separation = 3.707 (2) Å] generate a three-dimensional network. |
format | Online Article Text |
id | pubmed-4257223 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572232014-12-05 Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one Sharma, Naresh Parihar, Sanjay Jadeja, R. N. Kant, Rajni Gupta, Vivek K. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(18)H(14)Cl(2)N(2)O(2), crystallizes with two molecules, A and B, in the asymmetric unit. In molecule A, the dihedral angles between the central pyrazole ring and pendant dichlorobenzene and p-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In molecule B, the equivalent angles are 27.45 (16) and 40.45 (18)°, respectively. Each molecule features an intramolecular O—H⋯O hydrogen bond, which closes an S(6) ring and molecule A also features a C—H⋯O interaction. In the crystal, weak C—H⋯π interactions and aromatic π–π stacking [shortest centroid–centroid separation = 3.707 (2) Å] generate a three-dimensional network. International Union of Crystallography 2014-09-30 /pmc/articles/PMC4257223/ /pubmed/25484715 http://dx.doi.org/10.1107/S160053681402114X Text en © Sharma et al. 2014 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 Sharma, Naresh Parihar, Sanjay Jadeja, R. N. Kant, Rajni Gupta, Vivek K. Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one |
title | Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one |
title_full | Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one |
title_fullStr | Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one |
title_full_unstemmed | Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one |
title_short | Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one |
title_sort | crystal structure of (4z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1h-pyrazol-5-one |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257223/ https://www.ncbi.nlm.nih.gov/pubmed/25484715 http://dx.doi.org/10.1107/S160053681402114X |
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