Information card for entry 2229599

Structure parameters

• Chemical name: 2,5-Dichloroanilinium 4-chlorobenzenesulfonate
• Formula: C12 H10 Cl3 N O3 S
• Calculated formula: C12 H10 Cl3 N O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)[O-].c1(Cl)c([NH3+])cc(cc1)Cl
• Title of publication: 2,5-Dichloroanilinium 4-chlorobenzenesulfonate
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o967
• a: 9.792 ± 0.001 Å
• b: 6.802 ± 0.001 Å
• c: 10.879 ± 0.001 Å
• α: 90°
• β: 94.26 ± 0.01°
• γ: 90°
• Cell volume: 722.6 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes