Information card for entry 7202793

Structure parameters

• Formula: C14 H18 Cl2 N2 O2
• Calculated formula: C14 H18 Cl2 N2 O2
• SMILES: c1(c(cc(c2cc(c(cc2)[NH3+])OC)cc1)OC)[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: 5.3605 ± 0.0003 Å
• b: 8.1395 ± 0.0004 Å
• c: 8.8621 ± 0.0005 Å
• α: 84.19 ± 0.004°
• β: 73.687 ± 0.005°
• γ: 88.389 ± 0.005°
• Cell volume: 369.2 ± 0.04 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No