Cargando…
Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1)
The asymmetric unit of the title compound, C(6)H(5)N(5)·C(9)H(6)O(6), comprises a full molecule each of neutral trimesic acid (tma) and zwitterionic 5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (ptz). The components are linked into a two-dimensional layer by a combination of O—H⋯O, O—H⋯N, N—H⋯...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151784/ https://www.ncbi.nlm.nih.gov/pubmed/21837026 http://dx.doi.org/10.1107/S1600536811021490 |
_version_ | 1782209655041163264 |
---|---|
author | Meng, Gao-Xiang Ding, Hao Feng, Ya-Min Zhu, Jian-Hui Yang, He-Lin |
author_facet | Meng, Gao-Xiang Ding, Hao Feng, Ya-Min Zhu, Jian-Hui Yang, He-Lin |
author_sort | Meng, Gao-Xiang |
collection | PubMed |
description | The asymmetric unit of the title compound, C(6)H(5)N(5)·C(9)H(6)O(6), comprises a full molecule each of neutral trimesic acid (tma) and zwitterionic 5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (ptz). The components are linked into a two-dimensional layer by a combination of O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds parallel to the (10[Image: see text]) plane. Layers comprising alternating rows of tma and ptz are linked into a three-dimensional network by C—H⋯O and π–π interactions between tma and tetrazolate rings [centroid–centroid distance = 3.763 (2) Å], and between pyridinium and tetrazolate rings [centroid–centroid distance = 3.745 (2) Å]. |
format | Online Article Text |
id | pubmed-3151784 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31517842011-08-11 Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1) Meng, Gao-Xiang Ding, Hao Feng, Ya-Min Zhu, Jian-Hui Yang, He-Lin Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(6)H(5)N(5)·C(9)H(6)O(6), comprises a full molecule each of neutral trimesic acid (tma) and zwitterionic 5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (ptz). The components are linked into a two-dimensional layer by a combination of O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds parallel to the (10[Image: see text]) plane. Layers comprising alternating rows of tma and ptz are linked into a three-dimensional network by C—H⋯O and π–π interactions between tma and tetrazolate rings [centroid–centroid distance = 3.763 (2) Å], and between pyridinium and tetrazolate rings [centroid–centroid distance = 3.745 (2) Å]. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3151784/ /pubmed/21837026 http://dx.doi.org/10.1107/S1600536811021490 Text en © Meng et al. 2011 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 Meng, Gao-Xiang Ding, Hao Feng, Ya-Min Zhu, Jian-Hui Yang, He-Lin Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1) |
title | Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1) |
title_full | Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1) |
title_fullStr | Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1) |
title_full_unstemmed | Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1) |
title_short | Benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetrazol-5-ide (1/1) |
title_sort | benzene-1,3,5-tricarboxylic acid–5-(pyridin-1-ium-3-yl)-5h-1,2,3,4-tetrazol-5-ide (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151784/ https://www.ncbi.nlm.nih.gov/pubmed/21837026 http://dx.doi.org/10.1107/S1600536811021490 |
work_keys_str_mv | AT menggaoxiang benzene135tricarboxylicacid5pyridin1ium3yl5h1234tetrazol5ide11 AT dinghao benzene135tricarboxylicacid5pyridin1ium3yl5h1234tetrazol5ide11 AT fengyamin benzene135tricarboxylicacid5pyridin1ium3yl5h1234tetrazol5ide11 AT zhujianhui benzene135tricarboxylicacid5pyridin1ium3yl5h1234tetrazol5ide11 AT yanghelin benzene135tricarboxylicacid5pyridin1ium3yl5h1234tetrazol5ide11 |