Information card for entry 2207270

Structure parameters

• Chemical name: 2-Amino-2'-chloro-5-methylbenzophenone
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Clc1ccccc1C(=O)c1c(N)ccc(c1)C
• Title of publication: 2-Amino-2'-chloro-5-methylbenzophenone
• Authors of publication: Zhi-Yong Xing; Hui-Min Liu; Li Wu; Wen-Qin Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3796 - o3797
• a: 10.3419 ± 0.0019 Å
• b: 10.892 ± 0.002 Å
• c: 11.592 ± 0.002 Å
• α: 90°
• β: 102.982 ± 0.003°
• γ: 90°
• Cell volume: 1272.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes