Information card for entry 2230733

Structure parameters

• Common name: 1,6-Bis(chloromethyl)pyridine
• Chemical name: 1,6-Bis(chloromethyl)pyridine
• Formula: C7 H7 Cl2 N
• Calculated formula: C7 H7 Cl2 N
• SMILES: ClCc1nc(ccc1)CCl
• Title of publication: 1,6-Bis(chloromethyl)pyridine
• Authors of publication: Betz, Richard; Gerber, Thomas; Schalekamp, Henk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1577
• a: 8.9927 ± 0.0002 Å
• b: 12.1581 ± 0.0003 Å
• c: 7.4893 ± 0.0002 Å
• α: 90°
• β: 113.535 ± 0.001°
• γ: 90°
• Cell volume: 750.72 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0194
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes