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Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate

The title compound, C(14)H(15)N(3)O(4), is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s. deviation = 0.024 Å] being 2.52 (7)°....

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Autores principales: Mohamed, Shaaban K., Akkurt, Mehmet, Mague, Joel T., Ahmed, Eman A., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186195/
https://www.ncbi.nlm.nih.gov/pubmed/25309265
http://dx.doi.org/10.1107/S1600536814016766
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author Mohamed, Shaaban K.
Akkurt, Mehmet
Mague, Joel T.
Ahmed, Eman A.
Albayati, Mustafa R.
author_facet Mohamed, Shaaban K.
Akkurt, Mehmet
Mague, Joel T.
Ahmed, Eman A.
Albayati, Mustafa R.
author_sort Mohamed, Shaaban K.
collection PubMed
description The title compound, C(14)H(15)N(3)O(4), is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s. deviation = 0.024 Å] being 2.52 (7)°. This is due in large part to the presence of the intra­molecular N—H⋯O and C—H⋯O hydrogen bonds. In the crystal, pairwise N—H⋯O hydrogen bonds form inversion dimers, which are further associated into layers, lying very close to plane (-120), via pairwise C—H⋯O hydrogen bonds. The layers are then weakly connected through C—H⋯O hydrogen bonds, forming a three-dimensional structure.
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spelling pubmed-41861952014-10-12 Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate Mohamed, Shaaban K. Akkurt, Mehmet Mague, Joel T. Ahmed, Eman A. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(14)H(15)N(3)O(4), is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s. deviation = 0.024 Å] being 2.52 (7)°. This is due in large part to the presence of the intra­molecular N—H⋯O and C—H⋯O hydrogen bonds. In the crystal, pairwise N—H⋯O hydrogen bonds form inversion dimers, which are further associated into layers, lying very close to plane (-120), via pairwise C—H⋯O hydrogen bonds. The layers are then weakly connected through C—H⋯O hydrogen bonds, forming a three-dimensional structure. International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186195/ /pubmed/25309265 http://dx.doi.org/10.1107/S1600536814016766 Text en © Mohamed 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
Mohamed, Shaaban K.
Akkurt, Mehmet
Mague, Joel T.
Ahmed, Eman A.
Albayati, Mustafa R.
Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate
title Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate
title_full Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate
title_fullStr Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate
title_full_unstemmed Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate
title_short Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate
title_sort crystal structure of ethyl 2-({[(4z)-3,5-dioxo-1-phenyl­pyrazolidin-4-yl­idene]meth­yl}amino)­acetate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186195/
https://www.ncbi.nlm.nih.gov/pubmed/25309265
http://dx.doi.org/10.1107/S1600536814016766
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