Cargando…
Oxonium picrate
The title compound, H(3)O(+)·C(6)H(2)N(3)O(7) (−), consists of one picrate anion and one oxonium cation. The oxonium cation is located on a crystallographic twofold axis and both its H atoms are disordered, each over two symmetry-equivalent positions with occupancy ratios of 0.75. The picrate anions...
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/PMC3151795/ https://www.ncbi.nlm.nih.gov/pubmed/21837091 http://dx.doi.org/10.1107/S1600536811022574 |
_version_ | 1782209657528385536 |
---|---|
author | Jin, Shou-Wen Chen, Bing-Xia Ge, Yu-Shuang Yin, Hua-Bing Fang, Yu-Ping |
author_facet | Jin, Shou-Wen Chen, Bing-Xia Ge, Yu-Shuang Yin, Hua-Bing Fang, Yu-Ping |
author_sort | Jin, Shou-Wen |
collection | PubMed |
description | The title compound, H(3)O(+)·C(6)H(2)N(3)O(7) (−), consists of one picrate anion and one oxonium cation. The oxonium cation is located on a crystallographic twofold axis and both its H atoms are disordered, each over two symmetry-equivalent positions with occupancy ratios of 0.75. The picrate anions are also located on twofold axes bisecting the phenolate and p-nitro groups. π–π interactions between the rings of the picrates [centroid-to-centroid distances of 3.324 (2) Å] connect the anions to form stacks along the a-axis direction. The stacks are further joined together by the protonated water molecules through hydrogen bonds to form two-dimensional sheets extending parallel to the ab plane. The sheets are stacked on top of each other along the c-axis direction and connected through C—H⋯O interactions between the CH groups of the benzene rings and the picrate nitro groups, with C⋯O distances of 3.450 (2) Å. |
format | Online Article Text |
id | pubmed-3151795 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31517952011-08-11 Oxonium picrate Jin, Shou-Wen Chen, Bing-Xia Ge, Yu-Shuang Yin, Hua-Bing Fang, Yu-Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, H(3)O(+)·C(6)H(2)N(3)O(7) (−), consists of one picrate anion and one oxonium cation. The oxonium cation is located on a crystallographic twofold axis and both its H atoms are disordered, each over two symmetry-equivalent positions with occupancy ratios of 0.75. The picrate anions are also located on twofold axes bisecting the phenolate and p-nitro groups. π–π interactions between the rings of the picrates [centroid-to-centroid distances of 3.324 (2) Å] connect the anions to form stacks along the a-axis direction. The stacks are further joined together by the protonated water molecules through hydrogen bonds to form two-dimensional sheets extending parallel to the ab plane. The sheets are stacked on top of each other along the c-axis direction and connected through C—H⋯O interactions between the CH groups of the benzene rings and the picrate nitro groups, with C⋯O distances of 3.450 (2) Å. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151795/ /pubmed/21837091 http://dx.doi.org/10.1107/S1600536811022574 Text en © Jin 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 Jin, Shou-Wen Chen, Bing-Xia Ge, Yu-Shuang Yin, Hua-Bing Fang, Yu-Ping Oxonium picrate |
title | Oxonium picrate |
title_full | Oxonium picrate |
title_fullStr | Oxonium picrate |
title_full_unstemmed | Oxonium picrate |
title_short | Oxonium picrate |
title_sort | oxonium picrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151795/ https://www.ncbi.nlm.nih.gov/pubmed/21837091 http://dx.doi.org/10.1107/S1600536811022574 |
work_keys_str_mv | AT jinshouwen oxoniumpicrate AT chenbingxia oxoniumpicrate AT geyushuang oxoniumpicrate AT yinhuabing oxoniumpicrate AT fangyuping oxoniumpicrate |