Information card for entry 2230177

Structure parameters

• Common name: Bis(4-amino-2-chlorophenyl) disulfide
• Chemical name: 4-[(4-amino-2-chlorophenyl)disulfanyl]-3-chloroaniline
• Formula: C12 H10 Cl2 N2 S2
• Calculated formula: C12 H10 Cl2 N2 S2
• SMILES: S(Sc1ccc(N)cc1Cl)c1c(Cl)cc(N)cc1
• Title of publication: Bis(4-amino-2-chlorophenyl) disulfide
• Authors of publication: Tang, Jun-Mei; Feng, Zhi-Qiang; Cheng, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1197
• a: 6.636 ± 0.0013 Å
• b: 14.907 ± 0.003 Å
• c: 13.588 ± 0.003 Å
• α: 90°
• β: 95.09 ± 0.03°
• γ: 90°
• Cell volume: 1338.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.088
• 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: Yes