Information card for entry 2233177

Structure parameters

• Chemical name: 2-(6-Chloro-1<i>H</i>-indol-3-yl)acetonitrile
• Formula: C10 H7 Cl N2
• Calculated formula: C10 H7 Cl N2
• SMILES: Clc1cc2[nH]cc(CC#N)c2cc1
• Title of publication: 2-(6-Chloro-1<i>H</i>-indol-3-yl)acetonitrile
• Authors of publication: Li, Jin-Feng; Luo, Yang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o144
• a: 9.761 ± 0.002 Å
• b: 11.205 ± 0.002 Å
• c: 8.7791 ± 0.0018 Å
• α: 90°
• β: 100.39 ± 0.03°
• γ: 90°
• Cell volume: 944.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1466
• Residual factor for significantly intense reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.2875
• Weighted residual factors for all reflections included in the refinement: 0.3122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes