Information card for entry 2023457

Structure parameters

• Chemical name: 2-(5-Fluoro-2-methyl-1<i>H</i>-inden-3-yl)acetonitrile
• Formula: C12 H10 F N
• Calculated formula: C12 H10 F N
• Title of publication: Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1<i>H</i>-inden-3-yl)aceto-nitrile.
• Authors of publication: Yun-Deng, Wu; Hui, Wan; Yun, Xia; Jie, Ni; Jian, Li; Hui, Zhang; Xiang-Yang, Xu; Jun, Xie
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 4
• Pages of publication: 341 - 344
• a: 7.5248 ± 0.0005 Å
• b: 15.1897 ± 0.001 Å
• c: 17.1823 ± 0.0009 Å
• α: 90°
• β: 99.176 ± 0.002°
• γ: 90°
• Cell volume: 1938.8 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No