Information card for entry 2233170

Structure parameters

• Chemical name: 2-(7-Methyl-1<i>H</i>-indol-3-yl)acetonitrile
• Formula: C11 H10 N2
• Calculated formula: C11 H10 N2
• SMILES: c1c(c2cccc(c2[nH]1)C)CC#N
• Title of publication: 2-(7-Methyl-1<i>H</i>-indol-3-yl)acetonitrile
• Authors of publication: Ge, Yu-Hua; Pan, Mei-Ling; Xu, Jian; Luo, Yang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o141
• a: 6.9962 ± 0.0014 Å
• b: 8.9445 ± 0.0018 Å
• c: 15.406 ± 0.003 Å
• α: 90°
• β: 97.97 ± 0.03°
• γ: 90°
• Cell volume: 954.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes