Information card for entry 7202803

Structure parameters

• Formula: C14 H18 Cl2 N2
• Calculated formula: C14 H18 Cl2 N2
• SMILES: c1(cc(c(cc1)c1c(cc(cc1)[NH3+])C)C)[NH3+].[Cl-].[Cl-]
• Title of publication: Structural consequences of benzidine dihydrochloride substitution in the solid state
• Authors of publication: Dobrzycki, Lukasz; Woźniak, Krzysztof
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1029
• a: 23.811 ± 0.006 Å
• b: 6.1672 ± 0.0014 Å
• c: 4.9037 ± 0.0013 Å
• α: 90°
• β: 100.84 ± 0.02°
• γ: 90°
• Cell volume: 707.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No