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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)°....
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/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. |
format | Online Article Text |
id | pubmed-4186195 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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