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...

Descripción completa

Detalles Bibliográficos
Autores principales: Konovalova, Irina S., Kovalenko, Sergiy M., Kravchenko, Dmitry V., Chuev, Vladimir P.
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