Information card for entry 1501659

Structure parameters

• Formula: C18 H19 Cl N6 O2
• Calculated formula: C18 H19 Cl N6 O2
• SMILES: Clc1ncc(CN2C(NCC2)=C(N=Nc2c(cccc2C)C)N(=O)=O)cc1
• Title of publication: Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids.
• Authors of publication: Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2011
• Journal volume: 59
• Journal issue: 19
• Pages of publication: 10615 - 10623
• a: 15.867 ± 0.002 Å
• b: 7.9286 ± 0.0011 Å
• c: 15.923 ± 0.002 Å
• α: 90°
• β: 113.221 ± 0.002°
• γ: 90°
• Cell volume: 1840.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No