Cargando…
Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium
The asymmetric unit of the title compound, sodium 2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate dihydrate, Na(+)·C(15)H(14)NO(3) (−)·2H(2)O, contains two sodium cations, two organic anions (A and B) and two water molecules. The coordination geometry around the sodium cations corresponds...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869531/ https://www.ncbi.nlm.nih.gov/pubmed/33614141 http://dx.doi.org/10.1107/S2056989021000414 |
_version_ | 1783648647034961920 |
---|---|
author | Konovalova, Irina S. Kovalenko, Sergiy M. Kravchenko, Dmitry V. Chuev, Vladimir P. |
author_facet | Konovalova, Irina S. Kovalenko, Sergiy M. Kravchenko, Dmitry V. Chuev, Vladimir P. |
author_sort | Konovalova, Irina S. |
collection | PubMed |
description | The asymmetric unit of the title compound, sodium 2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate dihydrate, Na(+)·C(15)H(14)NO(3) (−)·2H(2)O, contains two sodium cations, two organic anions (A and B) and two water molecules. The coordination geometry around the sodium cations corresponds to a distorted octahedron. Each pair of sodium cations (A–A or B–B) is chelated by two bridging anions coordinated by the O atoms of the deprotonated carboxylic groups, and each sodium atom is coordinated by an O atom of a third anion, which connects pairs of sodium atoms, and a water molecule. As a result, a two-dimensional polymer is formed in the crystal. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyze the intermolecular contacts present in the crystal. |
format | Online Article Text |
id | pubmed-7869531 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-78695312021-02-19 Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium Konovalova, Irina S. Kovalenko, Sergiy M. Kravchenko, Dmitry V. Chuev, Vladimir P. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, sodium 2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate dihydrate, Na(+)·C(15)H(14)NO(3) (−)·2H(2)O, contains two sodium cations, two organic anions (A and B) and two water molecules. The coordination geometry around the sodium cations corresponds to a distorted octahedron. Each pair of sodium cations (A–A or B–B) is chelated by two bridging anions coordinated by the O atoms of the deprotonated carboxylic groups, and each sodium atom is coordinated by an O atom of a third anion, which connects pairs of sodium atoms, and a water molecule. As a result, a two-dimensional polymer is formed in the crystal. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyze the intermolecular contacts present in the crystal. International Union of Crystallography 2021-01-19 /pmc/articles/PMC7869531/ /pubmed/33614141 http://dx.doi.org/10.1107/S2056989021000414 Text en © Konovalova et al. 2021 http://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.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Konovalova, Irina S. Kovalenko, Sergiy M. Kravchenko, Dmitry V. Chuev, Vladimir P. Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium |
title | Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium |
title_full | Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium |
title_fullStr | Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium |
title_full_unstemmed | Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium |
title_short | Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium |
title_sort | crystal structure of the non-steroidal anti-inflammatory drug (nsaid) tolmetin sodium |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869531/ https://www.ncbi.nlm.nih.gov/pubmed/33614141 http://dx.doi.org/10.1107/S2056989021000414 |
work_keys_str_mv | AT konovalovairinas crystalstructureofthenonsteroidalantiinflammatorydrugnsaidtolmetinsodium AT kovalenkosergiym crystalstructureofthenonsteroidalantiinflammatorydrugnsaidtolmetinsodium AT kravchenkodmitryv crystalstructureofthenonsteroidalantiinflammatorydrugnsaidtolmetinsodium AT chuevvladimirp crystalstructureofthenonsteroidalantiinflammatorydrugnsaidtolmetinsodium |