Information card for entry 2202330

Structure parameters

• Chemical name: 2,5-Di-p-tolyl-1,3,4-oxadiazole
• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: Cc1ccc(cc1)c1nnc(o1)c1ccc(cc1)C
• Title of publication: 2,5-Di-<i>p</i>-tolyl-1,3,4-oxadiazole
• Authors of publication: Reck, Günter; Orgzall, Ingo; Schulz, Burkhard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1135 - o1136
• a: 11.404 ± 0.002 Å
• b: 11.751 ± 0.002 Å
• c: 10.87 ± 0.001 Å
• α: 90°
• β: 116.62 ± 0.02°
• γ: 90°
• Cell volume: 1302.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes