Information card for entry 2203278

Structure parameters

• Chemical name: 6-Nitro-2-propyl-1H-indole
• Formula: C11 H12 N2 O2
• Calculated formula: C11 H12 N2 O2
• SMILES: O=N(=O)c1ccc2cc([nH]c2c1)CCC
• Title of publication: 6-Nitro-2-propyl-1<i>H</i>-indole
• Authors of publication: Xianghong Huang; Qian-Feng Zhang; Herman H. Y. Sung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o409 - o410
• a: 8.229 ± 0.002 Å
• b: 11.828 ± 0.003 Å
• c: 12.088 ± 0.003 Å
• α: 67.403 ± 0.004°
• β: 86.94 ± 0.004°
• γ: 74.256 ± 0.004°
• Cell volume: 1043.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes