Information card for entry 2228950

Structure parameters

• Chemical name: 2-Chloro-5-(chloromethyl)pyridine
• Formula: C6 H5 Cl2 N
• Calculated formula: C6 H5 Cl2 N
• SMILES: n1cc(ccc1Cl)CCl
• Title of publication: 2-Chloro-5-(chloromethyl)pyridine
• Authors of publication: Feng, Zhi-Qiang; Yang, Xiao-Li; Ye, Yuan-Feng; Wang, Huai-Qing; Hao, Ling-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o366
• a: 4.077 ± 0.0008 Å
• b: 10.322 ± 0.002 Å
• c: 16.891 ± 0.003 Å
• α: 90°
• β: 95.95 ± 0.03°
• γ: 90°
• Cell volume: 707 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes