Information card for entry 1501726

Structure parameters

• Common name: N-chlorobenzanilide
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: ClN(c1ccccc1)C(=O)c1ccccc1
• 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: 11.754 ± 0.005 Å
• b: 5.765 ± 0.005 Å
• c: 16.944 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.743 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1144.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No