Information card for entry 1501727

Structure parameters

• Common name: 4-chloro-benzanilide
• Chemical name: N-(4-Chlorophenyl)benzamide
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: Clc1ccc(NC(=O)c2ccccc2)cc1
• Title of publication: Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
• Authors of publication: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 26
• Pages of publication: 7834 - 7848
• a: 5.3862 ± 0.0001 Å
• b: 7.8721 ± 0.0001 Å
• c: 13.6512 ± 0.0002 Å
• α: 106.554 ± 0.001°
• β: 98.414 ± 0.001°
• γ: 90.624 ± 0.001°
• Cell volume: 548.013 ± 0.015 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No