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Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate

In the title compound, C(19)H(23)N(3)O(8), the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024 (2) Å. The fused-ring system is nearly perpendicular to the three carboxyl­ate groups, with dihedral angles of 90.0 (3), 83.8 (1) and 80.4 (1)°. Th...

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Autores principales: Boulhaoua, Mohammed, Benchidmi, Mohammed, Essassi, El Mokhtar, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647391/
https://www.ncbi.nlm.nih.gov/pubmed/26594476
http://dx.doi.org/10.1107/S2056989015017235
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author Boulhaoua, Mohammed
Benchidmi, Mohammed
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
author_facet Boulhaoua, Mohammed
Benchidmi, Mohammed
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
author_sort Boulhaoua, Mohammed
collection PubMed
description In the title compound, C(19)H(23)N(3)O(8), the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024 (2) Å. The fused-ring system is nearly perpendicular to the three carboxyl­ate groups, with dihedral angles of 90.0 (3), 83.8 (1) and 80.4 (1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425 (17):0.575 (17) and 0.302 (15):0.698 (15). In the crystal, mol­ecules are linked by pairs of C—H⋯N hydrogen bonds, forming inversion dimers. The dimers are further linked by C—H⋯O hydrogen bonds, forming a three-dimensional network.
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spelling pubmed-46473912015-11-20 Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate Boulhaoua, Mohammed Benchidmi, Mohammed Essassi, El Mokhtar Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(19)H(23)N(3)O(8), the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024 (2) Å. The fused-ring system is nearly perpendicular to the three carboxyl­ate groups, with dihedral angles of 90.0 (3), 83.8 (1) and 80.4 (1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425 (17):0.575 (17) and 0.302 (15):0.698 (15). In the crystal, mol­ecules are linked by pairs of C—H⋯N hydrogen bonds, forming inversion dimers. The dimers are further linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647391/ /pubmed/26594476 http://dx.doi.org/10.1107/S2056989015017235 Text en © Boulhaoua et al. 2015 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
Boulhaoua, Mohammed
Benchidmi, Mohammed
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate
title Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate
title_full Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate
title_fullStr Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate
title_full_unstemmed Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate
title_short Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate
title_sort crystal structure of triethyl 2-(5-nitro-2h-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647391/
https://www.ncbi.nlm.nih.gov/pubmed/26594476
http://dx.doi.org/10.1107/S2056989015017235
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