Information card for entry 2019946

Structure parameters

• Common name: (Imino-λ^4^-sulfanylidene)[(4-methylphenyl)sulfanyl]amine
• Chemical name: 4-(4-Methylphenyl)-1,3-diaza-2,4-dithiabuta-1,2-diene
• Formula: C7 H8 N2 S2
• Calculated formula: C7 H8 N2 S2
• SMILES: N=S=NSc1ccc(cc1)C
• Title of publication: The structure of the first stable monosubstituted sulfur diimide
• Authors of publication: Jones, Ray
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• a: 6.223 ± 0.001 Å
• b: 7.178 ± 0.002 Å
• c: 19.732 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 881.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes