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Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1-inden-3-yl)aceto-nitrile. | LitMetric

Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1-inden-3-yl)aceto-nitrile.

Acta Crystallogr E Crystallogr Commun

Technique Center, Jinling Pharmaceutical Company Limited, 58 Xingang Road Qixia, district, Nanjing, Jiangsu 210046, People's Republic of China.

Published: April 2025


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Article Abstract

The title compound,CHFN, was identified as a possible critical degradation impurity of sulindac, a therapeutic COX-2 inhibitor for rheumatoid arthritis. Single-crystal X-ray analysis revealed two conformationally slightly different mol-ecules in the asymmetric unit (' = 2), each containing an indene ring system. In the crystal structure, [100] chains formed through C-H⋯N inter-actions are connected into a tri-periodic supra-molecular structure by further C-H⋯F and C-H⋯π inter-actions through 2/ symmetry operations.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11974336PMC
http://dx.doi.org/10.1107/S2056989025002622DOI Listing

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