Information card for entry 2239317

Structure parameters

• Chemical name: Bis(2,3-dichlorophenyl) disulfide
• Formula: C12 H6 Cl4 S2
• Calculated formula: C12 H6 Cl4 S2
• SMILES: Clc1c(SSc2cccc(c2Cl)Cl)cccc1Cl
• Title of publication: Bis(2,3-dichlorophenyl) disulfide
• Authors of publication: Osorio-Yáñez, Rebeca Nayely; Crisóstomo-Lucas, Carmela; Santacruz-Juárez, Ericka; Reyes-Martínez, Reyna; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o529
• a: 7.7149 ± 0.001 Å
• b: 7.7326 ± 0.0011 Å
• c: 12.748 ± 0.002 Å
• α: 91.472 ± 0.002°
• β: 91.233 ± 0.003°
• γ: 114.859 ± 0.002°
• Cell volume: 689.37 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes