Information card for entry 2216604

Structure parameters

• Chemical name: 5-Chloromethyl-3-(4-methylphenyl)-1,2,4-oxadiazole
• Formula: C10 H9 Cl N2 O
• Calculated formula: C10 H9 Cl N2 O
• SMILES: ClCc1onc(n1)c1ccc(C)cc1
• Title of publication: 5-Chloromethyl-3-(4-methylphenyl)-1,2,4-oxadiazole
• Authors of publication: Wang, Pin-Liang; Zeng, Hai-Su; Wang, Hai-Bo; Wu, Wen-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4619 - o4619
• a: 25.462 ± 0.005 Å
• b: 6.404 ± 0.0013 Å
• c: 14.589 ± 0.003 Å
• α: 90°
• β: 122.83 ± 0.03°
• γ: 90°
• Cell volume: 1998.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0924
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes