Information card for entry 2206497

Structure parameters

• Chemical name: (2-Chloroanilino)acetophenone
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Clc1c(NCC(=O)c2ccccc2)cccc1
• Title of publication: (2-Chloroanilino)acetophenone
• Authors of publication: Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Nagaraja, Padmarajaiah; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2551 - o2552
• a: 18.363 ± 0.004 Å
• b: 5.2852 ± 0.0014 Å
• c: 12.509 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1214 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1457
• 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