(Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate

The title compound, C(26)H(25)Cl(3)N(6)O(4), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro­phen­yl)-2-cyano­acrylate and 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonyl chloride. The dihedral angles between the chloro­benzene and the two pyrazole rings are 59.8 (2) and 33.3 (2)°. Th...

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Detalles Bibliográficos
Autores principales: Zhang, Dehua, Zhang, Xiaoyan, Guo, Lijuan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968925/
https://www.ncbi.nlm.nih.gov/pubmed/21582596
http://dx.doi.org/10.1107/S1600536809008988
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author Zhang, Dehua
Zhang, Xiaoyan
Guo, Lijuan
author_facet Zhang, Dehua
Zhang, Xiaoyan
Guo, Lijuan
author_sort Zhang, Dehua
collection PubMed
description The title compound, C(26)H(25)Cl(3)N(6)O(4), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro­phen­yl)-2-cyano­acrylate and 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonyl chloride. The dihedral angles between the chloro­benzene and the two pyrazole rings are 59.8 (2) and 33.3 (2)°. The two pyrazole rings are oriented to each other at a dihedral angle of 84.7 (2)°. The crystal packing is governed by inter­molecular C—H⋯O inter­actions, resulting in a three-dimensional network. The ethyl groups are disordered over two positions, with site-occupancy factors of 0.71/0.29 and 0.51/0.49.
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spelling pubmed-29689252010-12-30 (Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate Zhang, Dehua Zhang, Xiaoyan Guo, Lijuan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(26)H(25)Cl(3)N(6)O(4), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro­phen­yl)-2-cyano­acrylate and 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonyl chloride. The dihedral angles between the chloro­benzene and the two pyrazole rings are 59.8 (2) and 33.3 (2)°. The two pyrazole rings are oriented to each other at a dihedral angle of 84.7 (2)°. The crystal packing is governed by inter­molecular C—H⋯O inter­actions, resulting in a three-dimensional network. The ethyl groups are disordered over two positions, with site-occupancy factors of 0.71/0.29 and 0.51/0.49. International Union of Crystallography 2009-03-28 /pmc/articles/PMC2968925/ /pubmed/21582596 http://dx.doi.org/10.1107/S1600536809008988 Text en © Zhang et al. 2009 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 Organic Papers
Zhang, Dehua
Zhang, Xiaoyan
Guo, Lijuan
(Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate
title (Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate
title_full (Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate
title_fullStr (Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate
title_full_unstemmed (Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate
title_short (Z)-Ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate
title_sort (z)-ethyl 3-[bis­(4-chloro-3-ethyl-1-methyl-1h-pyrazol-5-yl­carbon­yl)amino]-3-(4-chloro­phen­yl)-2-cyano­propanoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968925/
https://www.ncbi.nlm.nih.gov/pubmed/21582596
http://dx.doi.org/10.1107/S1600536809008988
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AT zhangxiaoyan zethyl3bis4chloro3ethyl1methyl1hpyrazol5ylcarbonylamino34chlorophenyl2cyanopropanoate
AT guolijuan zethyl3bis4chloro3ethyl1methyl1hpyrazol5ylcarbonylamino34chlorophenyl2cyanopropanoate

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