Information card for entry 2208238

Structure parameters

• Chemical name: 1,5-Bis[(1E)-(2-methoxyphenyl)methylene]thiocarbonohydrazide ethanol solvate
• Formula: C19 H24 N4 O3 S
• Calculated formula: C19 H24 N4 O3 S
• SMILES: OCC.S=C(N/N=C/c1c(OC)cccc1)NN=Cc1c(OC)cccc1
• Title of publication: 1,5-Bis[(1<i>E</i>)-(2-methoxyphenyl)methylene]thiocarbonohydrazide ethanol solvate
• Authors of publication: Fang, Xiao-Niu; Xu, Ya-Ping; Guo, Xue-Feng; Zeng, Xi-Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1052 - o1054
• a: 7.8197 ± 0.0008 Å
• b: 10.387 ± 0.001 Å
• c: 12.94 ± 0.001 Å
• α: 87.547 ± 0.002°
• β: 74.645 ± 0.002°
• γ: 83.177 ± 0.002°
• Cell volume: 1006.26 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes