Information card for entry 2206803

Structure parameters

• Chemical name: 2-(2-Hydroxyphenyl)-1,3-benzoxazole
• Formula: C13 H9 N O2
• Calculated formula: C13 H9 N O2
• SMILES: Oc1ccccc1c1nc2c(o1)cccc2
• Title of publication: 2-(2-Hydroxyphenyl)-1,3-benzoxazole
• Authors of publication: Tong, Yi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3076 - o3078
• a: 22.446 ± 0.003 Å
• b: 3.8547 ± 0.0005 Å
• c: 11.5504 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 999.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes