Information card for entry 2235051

Structure parameters

• Chemical name: 1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone
• Formula: C16 H14 Cl N3 O2
• Calculated formula: C16 H14 Cl N3 O2
• SMILES: Clc1ccc(C2OC(=NN2C(=O)C)c2ccc(nc2)C)cc1
• Title of publication: 1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Shyma, P. C.; Kalluraya, Balakrishna; Arulmoli, T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1901
• a: 5.8623 ± 0.0002 Å
• b: 10.9912 ± 0.0005 Å
• c: 12.2815 ± 0.0005 Å
• α: 68.214 ± 0.001°
• β: 84.707 ± 0.001°
• γ: 87.623 ± 0.001°
• Cell volume: 731.67 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes