Information card for entry 2237000

Structure parameters

• Chemical name: [2-(4-Chlorophenyl)-1,3-selenazol-4-yl]methanol
• Formula: C10 H8 Cl N O Se
• Calculated formula: C10 H8 Cl N O Se
• SMILES: [se]1c(nc(c1)CO)c1ccc(Cl)cc1
• Title of publication: [2-(4-Chlorophenyl)-1,3-selenazol-4-yl]methanol
• Authors of publication: Cui, Jichun; Li, Chuan; Qiao, Yanling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3458
• a: 14.815 ± 0.0015 Å
• b: 4.5707 ± 0.0004 Å
• c: 14.9123 ± 0.0014 Å
• α: 90°
• β: 96.642 ± 0.001°
• γ: 90°
• Cell volume: 1003.01 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes