Information card for entry 2229470

Structure parameters

• Chemical name: 2-(4-Chloroanilino)-1-phenylethanone
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Clc1ccc(NCC(=O)c2ccccc2)cc1
• Title of publication: 2-(4-Chloroanilino)-1-phenylethanone
• Authors of publication: Yao, Xing-Jun; Yuan, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o710
• a: 5.65 ± 0.0005 Å
• b: 7.3921 ± 0.0008 Å
• c: 13.9769 ± 0.0014 Å
• α: 98.588 ± 0.002°
• β: 91.095 ± 0.001°
• γ: 97.59 ± 0.001°
• Cell volume: 571.7 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes