Information card for entry 2238143

Structure parameters

• Chemical name: 1,5-Bis(2-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate
• Formula: C18 H22 N4 O3 S
• Calculated formula: C18 H22 N4 O3 S
• SMILES: COc1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1OC.CO
• Title of publication: 1,5-Bis(2-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate
• Authors of publication: Yu, Jianfeng; Tang, Shiming; Zeng, Jingbin; Yan, Zifeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1147
• a: 7.7223 ± 0.0015 Å
• b: 10.232 ± 0.002 Å
• c: 12.648 ± 0.003 Å
• α: 85.938 ± 0.003°
• β: 80.796 ± 0.003°
• γ: 79.55 ± 0.003°
• Cell volume: 969.2 ± 0.4 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: 0.0594
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes