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Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate

In the mol­ecule of the title compound, C(12)H(11)ClN(4)O(4), the pyrazole ring is coplanar with the amino and ethoxy­carbonyl groups within 0.026 (2) and 0.105 (2) Å, respectively. The C (6) ring of the 4-chloro-2-nitro­phenyl group is twisted by 53.58 (4)° relative to the plane of the pyrazole rin...

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Autores principales: Zia-ur-Rehman, Muhammad, Elsegood, Mark R. J., Choudary, Jamil Anwar, Fasih Ullah, Muhammad, Siddiqui, Hamid Latif
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968147/
https://www.ncbi.nlm.nih.gov/pubmed/21581889
http://dx.doi.org/10.1107/S1600536809000488
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author Zia-ur-Rehman, Muhammad
Elsegood, Mark R. J.
Choudary, Jamil Anwar
Fasih Ullah, Muhammad
Siddiqui, Hamid Latif
author_facet Zia-ur-Rehman, Muhammad
Elsegood, Mark R. J.
Choudary, Jamil Anwar
Fasih Ullah, Muhammad
Siddiqui, Hamid Latif
author_sort Zia-ur-Rehman, Muhammad
collection PubMed
description In the mol­ecule of the title compound, C(12)H(11)ClN(4)O(4), the pyrazole ring is coplanar with the amino and ethoxy­carbonyl groups within 0.026 (2) and 0.105 (2) Å, respectively. The C (6) ring of the 4-chloro-2-nitro­phenyl group is twisted by 53.58 (4)° relative to the plane of the pyrazole ring. The planar structure of the pyrazole ring is stabilized by an intra­molecular N—H⋯O hydrogen bond between its substituents. Neighbouring mol­ecules are linked through inter­molecular N—H⋯N and N—H⋯O hydrogen bonds, giving rise to one-dimensional tapes along the b axis. Mol­ecules in the chain are linked to those of an adjacent chain through weak C—H⋯O inter­actions, forming a three-dimensional network.
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spelling pubmed-29681472010-12-30 Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate Zia-ur-Rehman, Muhammad Elsegood, Mark R. J. Choudary, Jamil Anwar Fasih Ullah, Muhammad Siddiqui, Hamid Latif Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(12)H(11)ClN(4)O(4), the pyrazole ring is coplanar with the amino and ethoxy­carbonyl groups within 0.026 (2) and 0.105 (2) Å, respectively. The C (6) ring of the 4-chloro-2-nitro­phenyl group is twisted by 53.58 (4)° relative to the plane of the pyrazole ring. The planar structure of the pyrazole ring is stabilized by an intra­molecular N—H⋯O hydrogen bond between its substituents. Neighbouring mol­ecules are linked through inter­molecular N—H⋯N and N—H⋯O hydrogen bonds, giving rise to one-dimensional tapes along the b axis. Mol­ecules in the chain are linked to those of an adjacent chain through weak C—H⋯O inter­actions, forming a three-dimensional network. International Union of Crystallography 2009-01-10 /pmc/articles/PMC2968147/ /pubmed/21581889 http://dx.doi.org/10.1107/S1600536809000488 Text en © Zia-ur-Rehman 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
Zia-ur-Rehman, Muhammad
Elsegood, Mark R. J.
Choudary, Jamil Anwar
Fasih Ullah, Muhammad
Siddiqui, Hamid Latif
Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate
title Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate
title_full Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate
title_fullStr Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate
title_full_unstemmed Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate
title_short Ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1H-pyrazole-4-carboxyl­ate
title_sort ethyl 5-amino-1-(4-chloro-2-nitro­phen­yl)-1h-pyrazole-4-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968147/
https://www.ncbi.nlm.nih.gov/pubmed/21581889
http://dx.doi.org/10.1107/S1600536809000488
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