Information card for entry 2225121

Structure parameters

• Common name: 2,2'-Dithiodianiline
• Chemical name: 2,2'-(disulfanediyl)dianiline
• Formula: C12 H12 N2 S2
• Calculated formula: C12 H12 N2 S2
• SMILES: S(Sc1ccccc1N)c1c(N)cccc1
• Title of publication: 2,2'-Dithiodianiline: a redetermination at 100K
• Authors of publication: Goh, Jia Hao; Fun, Hoong-Kun; Babu, M.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o292 - o293
• a: 8.2531 ± 0.0001 Å
• b: 13.0278 ± 0.0002 Å
• c: 22.3655 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2404.73 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes