Information card for entry 8106082

Structure parameters

• Formula: C21 H20 N2 O2 S
• Calculated formula: C21 H20 N2 O2 S
• SMILES: c1ccccc1CN(/N=C/c1ccccc1)S(=O)(=O)c1ccc(cc1)C
• Title of publication: The crystal structure of (E)-N-benzyl-N′-benzylidene-4-methylbenzenesulfonohydrazide, C21H20N2O2S
• Authors of publication: Guan, Xiao-Yu; Zhang, Liang-Dong; Liu, Zhang-Qin; Guo, Xin; Ma, Xuebing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 153 - 154
• a: 19.436 ± 0.003 Å
• b: 6.1396 ± 0.0006 Å
• c: 16.362 ± 0.003 Å
• α: 90°
• β: 108.1 ± 0.016°
• γ: 90°
• Cell volume: 1855.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No