Information card for entry 2241240

Structure parameters

• Chemical name: 5-(Furan-2-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine
• Formula: C12 H9 N3 O2
• Calculated formula: C12 H9 N3 O2
• Title of publication: Crystal structure of 5-(furan-2-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine
• Authors of publication: Paswan, Santosh; Bharty, Manoj K.; Kumari, Sanyucta; Gupta, Sushil K.; Singh, Nand K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o880 - o881
• a: 13.195 ± 0.003 Å
• b: 5.6162 ± 0.0008 Å
• c: 14.958 ± 0.003 Å
• α: 90°
• β: 107 ± 0.02°
• γ: 90°
• Cell volume: 1060 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1709
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes