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Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide
The title molecule, C(17)H(15)ClN(2)O(2), is L-shaped with the 4-chlorobenzylidene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-methoxyphenyl ring is almost normal to the mean plane of the pyrazolidine ring and...
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/PMC4158503/ https://www.ncbi.nlm.nih.gov/pubmed/25249861 http://dx.doi.org/10.1107/S1600536814014445 |
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author | Mangwala Kimpende, Peter Doan, Thi Kieu Oanh Vu, Quoc Trung Van Meervelt, Luc |
author_facet | Mangwala Kimpende, Peter Doan, Thi Kieu Oanh Vu, Quoc Trung Van Meervelt, Luc |
author_sort | Mangwala Kimpende, Peter |
collection | PubMed |
description | The title molecule, C(17)H(15)ClN(2)O(2), is L-shaped with the 4-chlorobenzylidene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-methoxyphenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chlorobenzylidene ring, with dihedral angles of 87.36 (17) and 89.23 (16)°, respectively. The pyrazolidine ring occurs in the betaine form with a Z configuration for the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π interactions generate ribbons of molecules along [1-10]. |
format | Online Article Text |
id | pubmed-4158503 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41585032014-09-23 Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide Mangwala Kimpende, Peter Doan, Thi Kieu Oanh Vu, Quoc Trung Van Meervelt, Luc Acta Crystallogr Sect E Struct Rep Online Research Communications The title molecule, C(17)H(15)ClN(2)O(2), is L-shaped with the 4-chlorobenzylidene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-methoxyphenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chlorobenzylidene ring, with dihedral angles of 87.36 (17) and 89.23 (16)°, respectively. The pyrazolidine ring occurs in the betaine form with a Z configuration for the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π interactions generate ribbons of molecules along [1-10]. International Union of Crystallography 2014-07-19 /pmc/articles/PMC4158503/ /pubmed/25249861 http://dx.doi.org/10.1107/S1600536814014445 Text en © Mangwala Kimpende 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 | Research Communications Mangwala Kimpende, Peter Doan, Thi Kieu Oanh Vu, Quoc Trung Van Meervelt, Luc Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide |
title | Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide |
title_full | Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide |
title_fullStr | Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide |
title_full_unstemmed | Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide |
title_short | Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide |
title_sort | crystal structure of (1z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158503/ https://www.ncbi.nlm.nih.gov/pubmed/25249861 http://dx.doi.org/10.1107/S1600536814014445 |
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