Information card for entry 4324788

Structure parameters

• Chemical name: 2-{[(oxo-λ^4^-sulfanylidene)amino]sulfanyl}aniline
• Formula: C6 H6 N2 O S2
• Calculated formula: C6 H6 N2 O S2
• SMILES: S(N=S=O)c1c(N)cccc1
• Title of publication: Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products
• Authors of publication: Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3017 - 3027
• a: 9.106 ± 0.002 Å
• b: 4.7383 ± 0.0014 Å
• c: 10.307 ± 0.003 Å
• α: 90°
• β: 115.677 ± 0.015°
• γ: 90°
• Cell volume: 400.8 ± 0.19 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No