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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...

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Autores principales: Mangwala Kimpende, Peter, Doan, Thi Kieu Oanh, Vu, Quoc Trung, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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].
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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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