Information card for entry 2011344

Structure parameters

• Common name: α-(4-Chlorophenyl)-N-phenylnitrone
• Chemical name: N-(p-Chlorobenzylidene)phenylamine N-oxide
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: Clc1ccc(C=N(=O)c2ccccc2)cc1
• Title of publication: <i>N</i>-(<i>p</i>-Chlorobenzylidene)phenylamine <i>N</i>-oxide
• Authors of publication: Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e403 - e404
• a: 13.594 ± 0.002 Å
• b: 14.808 ± 0.003 Å
• c: 5.611 ± 0.0015 Å
• α: 90.089 ± 0.017°
• β: 98.13 ± 0.018°
• γ: 83.505 ± 0.014°
• Cell volume: 1110.8 ± 0.4 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: 0.054
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes