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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4647391 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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