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Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium. | LitMetric

Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium.

Acta Crystallogr E Crystallogr Commun

Federal State Autonomous Educational Institution of Higher Education, Belgorod State University, 85, Pobedy St, Belgorod, 308015, Russian Federation.

Published: February 2021

The asymmetric unit of the title compound, sodium 2-[1-methyl-5-(4-methyl-benzo-yl)-1-pyrrol-2-yl]acetate dihydrate, Na·CHNO ·2HO, contains two sodium cations, two organic anions ( and ) and two water mol-ecules. The coordination geometry around the sodium cations corresponds to a distorted octa-hedron. Each pair of sodium cations (- or -) is chelated by two bridging anions coordinated by the O atoms of the deprotonated carb-oxy-lic groups, and each sodium atom is coordinated by an O atom of a third anion, which connects pairs of sodium atoms, and a water mol-ecule. 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 inter-molecular contacts present in the crystal.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869531PMC
http://dx.doi.org/10.1107/S2056989021000414DOI Listing

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