Information card for entry 2218757

Structure parameters

• Chemical name: 2-(4-Aminophenyl)-1,3-benzoxazole
• Formula: C13 H10 N2 O
• Calculated formula: C13 H10 N2 O
• SMILES: o1c(nc2c1cccc2)c1ccc(N)cc1
• Title of publication: 2-(4-Aminophenyl)-1,3-benzoxazole
• Authors of publication: Qu, Yuan; Zhang, Shi-lei; Teng, Lei; Xia, Xian-you; Zhang, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1210
• a: 4.1461 ± 0.0003 Å
• b: 19.542 ± 0.0012 Å
• c: 12.7705 ± 0.0008 Å
• α: 90°
• β: 95.243 ± 0.001°
• γ: 90°
• Cell volume: 1030.38 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.102
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes