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

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.

SUBMITTER: Yun-Deng W 

PROVIDER: S-EPMC11974336 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature