Information card for entry 2225715

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenyl)-5-phenyl-1,2,4-oxadiazole
• Formula: C14 H8 Cl2 N2 O
• Calculated formula: C14 H8 Cl2 N2 O
• SMILES: Clc1ccc(c2nc(on2)c2ccccc2)c(Cl)c1
• Title of publication: 3-(2,4-Dichlorophenyl)-5-phenyl-1,2,4-oxadiazole
• Authors of publication: Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Rai, Sankappa; Isloor, Arun M.; Shetty, Prakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o851
• a: 3.8035 ± 0.0002 Å
• b: 10.9666 ± 0.0007 Å
• c: 14.6949 ± 0.0009 Å
• α: 99.044 ± 0.002°
• β: 91.158 ± 0.002°
• γ: 98.891 ± 0.002°
• Cell volume: 597.43 ± 0.06 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: 0.0428
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes