Information card for entry 2233176

Structure parameters

• Chemical name: 2-(4-Chloro-1<i>H</i>-indol-3-yl)acetonitrile
• Formula: C10 H7 Cl N2
• Calculated formula: C10 H7 Cl N2
• SMILES: Clc1c2c(c[nH]c2ccc1)CC#N
• Title of publication: 2-(4-Chloro-1<i>H</i>-indol-3-yl)acetonitrile
• Authors of publication: Pan, Mei-Ling; Li, Xiang; Luo, Yang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o203
• a: 7.5091 ± 0.0015 Å
• b: 11.041 ± 0.002 Å
• c: 21.38 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1772.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes