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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...

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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
Descripción
Sumario: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.