Information card for entry 2219980

Structure parameters

• Chemical name: 1-(3-Amino-1<i>H</i>-inden-2-yl)ethanone
• Formula: C11 H11 N O
• Calculated formula: C11 H11 N O
• SMILES: C1C(=C(c2c1cccc2)N)C(=O)C
• Title of publication: 1-(3-Amino-1<i>H</i>-inden-2-yl)ethanone
• Authors of publication: Hu, Dong-Yue; Qu, Zhi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2239
• a: 8.1794 ± 0.0004 Å
• b: 10.6905 ± 0.0005 Å
• c: 10.5602 ± 0.0006 Å
• α: 90°
• β: 93.783 ± 0.008°
• γ: 90°
• Cell volume: 921.39 ± 0.08 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: 0.0979
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes