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Updated: May 15, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1H-inden-3-yl)aceto-nitrile
Wu Yun-Deng1, Wan Hui1, Xia Yun1
1Technique Center, Jinling Pharmaceutical Company Limited, 58 Xingang Road Qixia, district, Nanjing, Jiangsu 210046, People's Republic of China.
Abstract:
The title compound,C12H10FN, 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 (Z' = 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 P21/n symmetry operations.
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