Information card for entry 2230879

Structure parameters

• Chemical name: 2-Phenyl-5-(<i>p</i>-tolyl)-1,3,4-oxadiazole
• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: o1c(nnc1c1ccccc1)c1ccc(cc1)C
• Title of publication: 2-Phenyl-5-(<i>p</i>-tolyl)-1,3,4-oxadiazole
• Authors of publication: Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1757
• a: 19.733 ± 0.005 Å
• b: 5.1441 ± 0.0012 Å
• c: 12.436 ± 0.003 Å
• α: 90°
• β: 107.477 ± 0.006°
• γ: 90°
• Cell volume: 1204.1 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.1488
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.273
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes