Information card for entry 7202795

Structure parameters

• Formula: C14 H18 Cl2 N2
• Calculated formula: C14 H18 Cl2 N2
• SMILES: [Cl-].[Cl-].[NH3+]c1c(cc(cc1)c1cc(c([NH3+])cc1)C)C
• 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: 7.5938 ± 0.0002 Å
• b: 9.5918 ± 0.0003 Å
• c: 20.0837 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.86 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No