Information card for entry 2231040

Structure parameters

• Chemical name: 1,5-Bis[1-(4-methoxyphenyl)ethylidene]thiocarbonohydrazide
• Formula: C19 H22 N4 O2 S
• Calculated formula: C19 H22 N4 O2 S
• SMILES: S=C(N/N=C(C)/c1ccc(OC)cc1)N/N=C(\C)c1ccc(OC)cc1
• Title of publication: 1,5-Bis[1-(4-methoxyphenyl)ethylidene]thiocarbonohydrazide
• Authors of publication: Zhao, Xinyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2132
• a: 7.4225 ± 0.0006 Å
• b: 11.4705 ± 0.0011 Å
• c: 21.749 ± 0.002 Å
• α: 90°
• β: 91.781 ± 0.001°
• γ: 90°
• Cell volume: 1850.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes