Information card for entry 2243167

Structure parameters

• Chemical name: (<i>E</i>)-2-({2-[Azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}\ methyl)benzene-1,4-diol sulfate
• Formula: C9 H13 N3 O6 S2
• Calculated formula: C9 H13 N3 O6 S2
• Title of publication: Synthesis and crystal structure of (<i>E</i>)-2-({2-[azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}methyl)benzene-1,4-diol hydrogen sulfate
• Authors of publication: Nehar, Oussama; Louhibi, Samira; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1738 - 1740
• a: 4.9411 ± 0.0008 Å
• b: 16.139 ± 0.002 Å
• c: 16.426 ± 0.003 Å
• α: 90°
• β: 100.44 ± 0.007°
• γ: 90°
• Cell volume: 1288.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No