Information card for entry 2238864

Structure parameters

• Chemical name: 5-(5'-Fluoro-2'-methoxybiphenyl-3-yl)-1,3,4-oxadiazol-2-amine
• Formula: C15 H12 F N3 O2
• Calculated formula: C15 H12 F N3 O2
• SMILES: COc1ccc(cc1c1cccc(c1)c1nnc(o1)N)F
• Title of publication: 5-(5'-Fluoro-2'-methoxybiphenyl-3-yl)-1,3,4-oxadiazol-2-amine
• Authors of publication: Usha, M. K.; Ramaprasad, G. C.; Kalluraya, Balakrishna; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1788
• a: 12.9105 ± 0.0009 Å
• b: 6.1738 ± 0.0004 Å
• c: 16.9255 ± 0.0011 Å
• α: 90°
• β: 90.341 ± 0.007°
• γ: 90°
• Cell volume: 1349.05 ± 0.16 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: 0.1157
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No