Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1<i>H</i>-inden-3-yl)acetonitrile
The title compound,C<sub>12</sub>H<sub>10</sub>FN, 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 (<i>Z</i>' = 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 <i>P</i>2<sub>1</sub>/<i>n</i> symmetry operations.
Authors
- Jun Xie (ORCID: https://orcid.org/0000-0002-2362-5260)
- Hui Wan (ORCID: https://orcid.org/0000-0001-9754-5469)
- Yun Xia
- 徐向阳 Xu Xiangyang
- Jie Ni (ORCID: https://orcid.org/0000-0002-8844-6132)
- Jian Li (ORCID: https://orcid.org/0000-0003-3877-2922)
- Hui Zhang (ORCID: https://orcid.org/0000-0002-4873-6864)
- Wu Yun-Deng
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-03-27
- DOI
- https://doi.org/10.1107/s2056989025002622
- Primary Topic
- Synthesis and biological activity
- Type
- article
- Field-Weighted Citation Impact
- 0.00