Information card for entry 2227414

Structure parameters

• Common name: 2,2',5,5'-Tetrachlorobenzidine
• Chemical name: 2,2',5,5'-Tetrachlorobenzidine
• Formula: C12 H8 Cl4 N2
• Calculated formula: C12 H8 Cl4 N2
• SMILES: Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl
• Title of publication: 2,2',5,5'-Tetrachlorobenzidine
• Authors of publication: Ugono, Onome; Douglas Jr, Marcel; Rath, Nigam P.; Beatty, Alicia M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2285
• a: 17.2346 ± 0.0011 Å
• b: 3.8767 ± 0.0002 Å
• c: 18.1573 ± 0.0019 Å
• α: 90°
• β: 94.872 ± 0.003°
• γ: 90°
• Cell volume: 1208.77 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes