Information card for entry 1545756

Structure parameters

• Chemical name: 2-(3-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(c2cccc(c2)C)C(=O)c2ccccc12
• Title of publication: 2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one
• Authors of publication: Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 4
• Pages of publication: x170532
• a: 15.561 ± 0.004 Å
• b: 5.9415 ± 0.0016 Å
• c: 12.471 ± 0.003 Å
• α: 90°
• β: 92.799 ± 0.003°
• γ: 90°
• Cell volume: 1151.6 ± 0.5 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: 0.0331
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No