Information card for entry 4510904

Structure parameters

• Formula: C10 H10 Cl2 N2 O2
• Calculated formula: C10 H10 Cl2 N2 O2
• SMILES: c1cc(c2cc[n+](cc2)O)cc[n+]1O.[Cl-].[Cl-]
• Title of publication: ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?
• Authors of publication: Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5200
• a: 7.3066 ± 0.0008 Å
• b: 9.8027 ± 0.0005 Å
• c: 16.057 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1150.07 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No