Information card for entry 2228151

Structure parameters

• Chemical name: 2,6-Dichloropyridine-3,5-dicarbonitrile
• Formula: C7 H Cl2 N3
• Calculated formula: C7 H Cl2 N3
• SMILES: c1(c(cc(c(Cl)n1)C#N)C#N)Cl
• Title of publication: 2,6-Dichloropyridine-3,5-dicarbonitrile
• Authors of publication: Woiczechowski-Pop, Adrian; Varga, Richard A.; Terec, Anamaria; Grosu, Ion
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2638
• a: 6.8473 ± 0.0009 Å
• b: 12.1307 ± 0.0015 Å
• c: 19.43 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1613.9 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes