Information card for entry 2203664

Structure parameters

• Chemical name: 6,6'-Bis(chloromethyl)-2,2'-bipyridine
• Formula: C12 H10 Cl2 N2
• Calculated formula: C12 H10 Cl2 N2
• SMILES: ClCc1cccc(n1)c1cccc(n1)CCl
• Title of publication: 6,6'-Bis(chloromethyl)-2,2'-bipyridine
• Authors of publication: Leonard F. Lindoy; John C. McMurtrie; Jason R. Price
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o886 - o888
• a: 11.7692 ± 0.0011 Å
• b: 4.3678 ± 0.0004 Å
• c: 10.8889 ± 0.001 Å
• α: 90°
• β: 93.588 ± 0.001°
• γ: 90°
• Cell volume: 558.65 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes