Information card for entry 2220064

Structure parameters

• Chemical name: Benzyl N'-benzhydrylidenehydrazinecarbodithioate
• Formula: C21 H18 N2 S2
• Calculated formula: C21 H18 N2 S2
• SMILES: S(Cc1ccccc1)C(=S)N/N=C(c1ccccc1)\c1ccccc1
• Title of publication: Benzyl <i>N</i>'-benzhydrylidenehydrazinecarbodithioate
• Authors of publication: Zhang, Bing-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2477
• a: 20.2903 ± 0.0014 Å
• b: 9.0951 ± 0.0006 Å
• c: 10.5818 ± 0.0007 Å
• α: 90°
• β: 103.924 ± 0.001°
• γ: 90°
• Cell volume: 1895.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes