Information card for entry 8105572

Structure parameters

• Formula: C8 H5 F N2 O
• Calculated formula: C8 H5 F N2 O
• Title of publication: The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O
• Authors of publication: Zhou, Zhixu; Long, Dan; Wu, Qing-Mei; Yu, De-Hou; Lu, Hong-Guang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 153 - 154
• a: 7.892 ± 0.008 Å
• b: 6.088 ± 0.006 Å
• c: 15.701 ± 0.016 Å
• α: 90°
• β: 90.08 ± 0.03°
• γ: 90°
• Cell volume: 754.4 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No