Information card for entry 2233350

Structure parameters

• Chemical name: (<i>E</i>)-1-[2-(Methylsulfanyl)phenyl]-2-({(<i>E</i>)-2-[2- (methylsulfanyl)phenyl]hydrazinylidene}(nitro)methyl)diazene
• Formula: C15 H15 N5 O2 S2
• Calculated formula: C15 H15 N5 O2 S2
• SMILES: S(C)c1c(N=N/C(=N\Nc2c(SC)cccc2)N(=O)=O)cccc1
• Title of publication: (<i>E</i>)-1-[2-(Methylsulfanyl)phenyl]-2-({(<i>E</i>)-2-[2-(methylsulfanyl)phenyl]hydrazinylidene}(nitro)methyl)diazene
• Authors of publication: von Eschwege, Karel G.; Muller, Fabian; Hosten, Eric C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o199 - o200
• a: 4.7283 ± 0.0002 Å
• b: 17.9791 ± 0.001 Å
• c: 19.3865 ± 0.0008 Å
• α: 90°
• β: 103.646 ± 0.002°
• γ: 90°
• Cell volume: 1601.54 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes