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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...

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Autores principales: Jin, Shou-Wen, Chen, Bing-Xia, Ge, Yu-Shuang, Yin, Hua-Bing, Fang, Yu-Ping
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
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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.
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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
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