Information card for entry 2238711

Structure parameters

• Chemical name: 1,5-Bis(4-isopropylbenzylidene)thiocarbonohydrazide
• Formula: C21 H26 N4 S
• Calculated formula: C21 H26 N4 S
• SMILES: CC(c1ccc(cc1)/C=N/NC(=S)N/N=C/c1ccc(cc1)C(C)C)C
• Title of publication: 1,5-Bis(4-isopropylbenzylidene)thiocarbonohydrazide
• Authors of publication: Han, Yan-Hua; Zhao, Qiao; Wang, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1663
• a: 18.082 ± 0.006 Å
• b: 11.129 ± 0.004 Å
• c: 10.617 ± 0.003 Å
• α: 90°
• β: 95.33 ± 0.006°
• γ: 90°
• Cell volume: 2127.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1603
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No