Information card for entry 2214487

Structure parameters

• Chemical name: 1,5-Bis[(1E)-3,4-dimethoxybenzylidene]thiocarbonohydrazide tetrahydrate
• Formula: C19 H30 N4 O8 S
• Calculated formula: C19 H30 N4 O8 S
• SMILES: S=C(N\N=C\c1cc(OC)c(OC)cc1)NN=Cc1cc(OC)c(OC)cc1.O.O.O.O
• Title of publication: 1,5-Bis[(1<i>E</i>)-3,4-dimethoxybenzylidene]thiocarbonohydrazide tetrahydrate
• Authors of publication: Sarojini, B. K.; Yathirajan, H. S.; Narayana, B.; Sunil, K.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3521 - o3521
• a: 15.9418 ± 0.0011 Å
• b: 8.7714 ± 0.0007 Å
• c: 16.651 ± 0.0011 Å
• α: 90°
• β: 92.815 ± 0.005°
• γ: 90°
• Cell volume: 2325.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.05
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes