Information card for entry 2236361

Structure parameters

• Chemical name: 5-Phenyl-1,3,4-oxadiazol-2-amine
• Formula: C8 H7 N3 O
• Calculated formula: C8 H7 N3 O
• SMILES: Nc1nnc(o1)c1ccccc1
• Title of publication: 5-Phenyl-1,3,4-oxadiazol-2-amine
• Authors of publication: Song, Man-Man; Wu, Kong-Li; Zhu, Lin; Zheng, Juan; Xu, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3058
• a: 11.194 ± 0.003 Å
• b: 5.899 ± 0.0005 Å
• c: 15.034 ± 0.005 Å
• α: 90°
• β: 130.193 ± 0.018°
• γ: 90°
• Cell volume: 758.3 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• 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: 0.1158
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes