Information card for entry 1501657

Structure parameters

• Formula: C16 H20 N4 O2 S
• Calculated formula: C16 H20 N4 O2 S
• SMILES: s1nnc(C)c1C(=O)N(NC(=O)c1cccc(c1)C)C(C)(C)C
• Title of publication: Synthesis and insecticidal activity of N-tert-butyl-N,N'-diacylhydrazines containing 1,2,3-thiadiazoles.
• Authors of publication: Wang, Huan; Yang, Zhikun; Fan, Zhijin; Wu, Qingjun; Zhang, Youjun; Mi, Na; Wang, Shouxin; Zhang, Zhengcai; Song, Haibin; Liu, Feng
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2011
• Journal volume: 59
• Journal issue: 2
• Pages of publication: 628 - 634
• a: 11.724 ± 0.002 Å
• b: 9.2465 ± 0.0018 Å
• c: 15.567 ± 0.003 Å
• α: 90°
• β: 95.26 ± 0.03°
• γ: 90°
• Cell volume: 1680.4 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0678
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No