Information card for entry 2226346

Structure parameters

• Chemical name: 2-[2-(Methylamino)benzoyl]-2,3,4,9-tetrahydro-1<i>H</i>- pyrido[3,4-<i>b</i>]indol-1-one
• Formula: C19 H17 N3 O2
• Calculated formula: C19 H17 N3 O2
• SMILES: c12ccccc1[nH]c1c2CCN(C1=O)C(=O)c1ccccc1NC
• Title of publication: 2-[2-(Methylamino)benzoyl]-2,3,4,9-tetrahydro-1<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-one
• Authors of publication: Li, Lin; Zhang, Yu-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1511
• a: 6.9255 ± 0.0014 Å
• b: 8.8596 ± 0.0018 Å
• c: 14.158 ± 0.003 Å
• α: 105.86 ± 0.03°
• β: 99.19 ± 0.03°
• γ: 96.78 ± 0.03°
• Cell volume: 812.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes