Information card for entry 1507654

Structure parameters

• Formula: C11 H15 Cl N6 O2
• Calculated formula: C11 H15 Cl N6 O2
• SMILES: Clc1ncc(CN(/N=C/C(C)C)C(=N\N(=O)=O)\N)cc1
• Title of publication: N'-Nitro-2-hydrocarbylidenehydrazinecarboximidamides: Design, Synthesis, Crystal Structure, Insecticidal Activity, and Structure-Activity Relationships.
• Authors of publication: Su, Wangcang; Zhou, Yihui; Ma, Yongqiang; Wang, Lei; Zhang, Zheng; Rui, Changhui; Duan, Hongxia; Qin, Zhaohai
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2012
• Journal volume: 60
• Journal issue: 20
• Pages of publication: 5028 - 5034
• a: 8.738 ± 0.002 Å
• b: 17.846 ± 0.004 Å
• c: 9.701 ± 0.003 Å
• α: 90°
• β: 114.164 ± 0.004°
• γ: 90°
• Cell volume: 1380.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No