Information card for entry 2238597

Structure parameters

• Chemical name: <i>N</i>-(2-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one
• Formula: C14 H11 N O Se
• Calculated formula: C14 H11 N O Se
• SMILES: [Se]1N(C(=O)c2c1cccc2)c1c(cccc1)C
• Title of publication: <i>N</i>-(2-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one
• Authors of publication: Zhu, Xu; Xu, Ying; Han, Hongfei; Guo, Zhiqiang; Wei, Xuehong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1538
• a: 7.7319 ± 0.0014 Å
• b: 13.491 ± 0.002 Å
• c: 11.913 ± 0.002 Å
• α: 90°
• β: 102.625 ± 0.003°
• γ: 90°
• Cell volume: 1212.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No