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Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide
The crystal structure of the title salt, bis(3-carboxy-1-methylpyridinium) octabromide, 2C(7)H(8)NO(2) (+)·Br(8) (2−), consists of 3-carboxy-1-methylpyridinium (N-methylnicotinic acid) cations, which are stacked between relatively rare [Br(8)](2–) anions. The polybromide [Br(8)](2–) anion has...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626950/ https://www.ncbi.nlm.nih.gov/pubmed/37936849 http://dx.doi.org/10.1107/S2056989023008460 |
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author | Sirenko, Valerii Y. Naumova, Dina D. Golenya, Irina A. Shova, Sergiu Gural’skiy, Il’ya A. |
author_facet | Sirenko, Valerii Y. Naumova, Dina D. Golenya, Irina A. Shova, Sergiu Gural’skiy, Il’ya A. |
author_sort | Sirenko, Valerii Y. |
collection | PubMed |
description | The crystal structure of the title salt, bis(3-carboxy-1-methylpyridinium) octabromide, 2C(7)H(8)NO(2) (+)·Br(8) (2−), consists of 3-carboxy-1-methylpyridinium (N-methylnicotinic acid) cations, which are stacked between relatively rare [Br(8)](2–) anions. The polybromide [Br(8)](2–) anion has point group symmetry [Image: see text] and can be described as being composed of two [Br(3)](−) anions connected with a Br(2) molecule in a Z-shaped manner. Contacts between neighboring octabromide anions ensure the creation of pseudo-polymeric chains propagating along [111]. The organic cations are located between anionic chains and are connected to each other through O—H⋯O hydrogen bonds and to the [Br(8)](2–) anions through π⋯Br interactions that induce the creation of a supramolecular tri-periodic network. In addition, the presence of weak C—H⋯Br contacts leads to the creation of layers, which align parallel to (11 [Image: see text] ). |
format | Online Article Text |
id | pubmed-10626950 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-106269502023-11-07 Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide Sirenko, Valerii Y. Naumova, Dina D. Golenya, Irina A. Shova, Sergiu Gural’skiy, Il’ya A. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title salt, bis(3-carboxy-1-methylpyridinium) octabromide, 2C(7)H(8)NO(2) (+)·Br(8) (2−), consists of 3-carboxy-1-methylpyridinium (N-methylnicotinic acid) cations, which are stacked between relatively rare [Br(8)](2–) anions. The polybromide [Br(8)](2–) anion has point group symmetry [Image: see text] and can be described as being composed of two [Br(3)](−) anions connected with a Br(2) molecule in a Z-shaped manner. Contacts between neighboring octabromide anions ensure the creation of pseudo-polymeric chains propagating along [111]. The organic cations are located between anionic chains and are connected to each other through O—H⋯O hydrogen bonds and to the [Br(8)](2–) anions through π⋯Br interactions that induce the creation of a supramolecular tri-periodic network. In addition, the presence of weak C—H⋯Br contacts leads to the creation of layers, which align parallel to (11 [Image: see text] ). International Union of Crystallography 2023-10-03 /pmc/articles/PMC10626950/ /pubmed/37936849 http://dx.doi.org/10.1107/S2056989023008460 Text en © Sirenko et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Sirenko, Valerii Y. Naumova, Dina D. Golenya, Irina A. Shova, Sergiu Gural’skiy, Il’ya A. Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide |
title | Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide |
title_full | Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide |
title_fullStr | Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide |
title_full_unstemmed | Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide |
title_short | Crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide |
title_sort | crystal structure of bis(3-carboxy-1-methylpyridinium) octabromide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626950/ https://www.ncbi.nlm.nih.gov/pubmed/37936849 http://dx.doi.org/10.1107/S2056989023008460 |
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