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Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate
The title compound, C(16)H(16)N(4)O(2), crystallizes with two molecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2):0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two...
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/PMC4257344/ https://www.ncbi.nlm.nih.gov/pubmed/25484836 http://dx.doi.org/10.1107/S1600536814023502 |
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author | Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. |
author_facet | Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. |
author_sort | Mague, Joel T. |
collection | PubMed |
description | The title compound, C(16)H(16)N(4)O(2), crystallizes with two molecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2):0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two molecules, as indicated by the syn N—N—C(ar)—C(ar) (ar = aromatic) torsion angles of 39.7 (2) and −36.9 (2)°. Each molecule features an intramolecular N—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, C—H⋯O and C—H⋯N interactions direct the packing into a layered structure parallel to (110). |
format | Online Article Text |
id | pubmed-4257344 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42573442014-12-05 Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(16)H(16)N(4)O(2), crystallizes with two molecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2):0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two molecules, as indicated by the syn N—N—C(ar)—C(ar) (ar = aromatic) torsion angles of 39.7 (2) and −36.9 (2)°. Each molecule features an intramolecular N—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, C—H⋯O and C—H⋯N interactions direct the packing into a layered structure parallel to (110). International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257344/ /pubmed/25484836 http://dx.doi.org/10.1107/S1600536814023502 Text en © Mague 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 Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate |
title | Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate |
title_full | Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate |
title_fullStr | Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate |
title_full_unstemmed | Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate |
title_short | Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate |
title_sort | crystal structure of ethyl (2z)-2-cyano-3-[(3-methyl-1-phenyl-1h-pyrazol-5-yl)amino]prop-2-enoate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257344/ https://www.ncbi.nlm.nih.gov/pubmed/25484836 http://dx.doi.org/10.1107/S1600536814023502 |
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