Information card for entry 2216483

Structure parameters

• Chemical name: 4-(3-(Chloromethyl)-1,2,4-oxadiazol-5-yl)pyridine
• Formula: C8 H6 Cl N3 O
• Calculated formula: C8 H6 Cl N3 O
• SMILES: ClCc1onc(n1)c1cccnc1
• Title of publication: 4-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]pyridine
• Authors of publication: Kang, Si-shun; Li, Hai-Lin; Zeng, Hai-su; Wang, Hai-bo; Wang, Pin-liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4654 - o4654
• a: 10.512 ± 0.002 Å
• b: 11.486 ± 0.002 Å
• c: 7.208 ± 0.0014 Å
• α: 90°
• β: 94.11 ± 0.03°
• γ: 90°
• Cell volume: 868.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1279
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes