Information card for entry 2006042

Structure parameters

• Chemical name: 2-Methylamino-5-chlorobenzophenone
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Clc1ccc(NC)c(c1)C(=O)c1ccccc1
• Title of publication: 2-Methylamino-5-chlorobenzophenone
• Authors of publication: Cox, P. J.; Anisuzzaman, A. T. Md.; Skellern, G. G.; Pryce-Jones, R. H.; Florence, A. J.; Shankland, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 476 - 477
• a: 12.928 ± 0.005 Å
• b: 5.546 ± 0.005 Å
• c: 16.445 ± 0.005 Å
• α: 90°
• β: 92.392 ± 0.005°
• γ: 90°
• Cell volume: 1178.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 0.736
• Goodness-of-fit parameter for significantly intense reflections: 0.881
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No