Information card for entry 2230262

Structure parameters

• Common name: α-(2-Chlorophenyl)-N-phenylnitrone
• Chemical name: (<i>Z</i>)-<i>N</i>-(2-Chlorobenzylidene)aniline <i>N</i>-oxide
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: c1(ccccc1/C=N(/c1ccccc1)=O)Cl
• Title of publication: (<i>Z</i>)-<i>N</i>-(2-Chlorobenzylidene)aniline <i>N</i>-oxide
• Authors of publication: Fu, Ying; Liu, Yanhua; Yang, Yanshou; Chen, Yaojuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1320
• a: 9.7302 ± 0.0003 Å
• b: 9.7389 ± 0.0003 Å
• c: 11.746 ± 0.0003 Å
• α: 90°
• β: 104.093 ± 0.001°
• γ: 90°
• Cell volume: 1079.57 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes