Information card for entry 2238901

Structure parameters

• Chemical name: Ethyl <i>N</i>-(3-cyano-1<i>H</i>-indol-2-yl)formimidate
• Formula: C12 H11 N3 O
• Calculated formula: C12 H11 N3 O
• SMILES: [nH]1c2ccccc2c(c1/N=C/OCC)C#N
• Title of publication: Ethyl <i>N</i>-(3-cyano-1<i>H</i>-indol-2-yl)formimidate
• Authors of publication: Ruchun, Yang; Hui, Zhang; BanPeng, Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1745
• a: 12.7884 ± 0.0006 Å
• b: 8.0546 ± 0.0006 Å
• c: 21.4116 ± 0.001 Å
• α: 90°
• β: 94.069 ± 0.004°
• γ: 90°
• Cell volume: 2200 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No