Information card for entry 7203650

Structure parameters

• Formula: C12 H14 Cl2 N2
• Calculated formula: C12 H14 Cl2 N2
• SMILES: c1(ccc(cc1)c1ccc(cc1)[NH3+])[NH3+].[Cl-].[Cl-]
• Title of publication: On polymorphism and planarity of benzidine dihydrochloride
• Authors of publication: Łukasz Dobrzycki; Krzysztof Woźniak
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 780
• a: 27.4793 ± 0.0011 Å
• b: 6.028 ± 0.0003 Å
• c: 7.319 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.36 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No