Information card for entry 1552922

Structure parameters

• Formula: C18 H13 Cl2 F2 N3 O
• Calculated formula: C18 H13 Cl2 F2 N3 O
• SMILES: Clc1cc(c2c(C(=O)Nc3c(nn(c3)C)C(F)F)cccc2)ccc1Cl
• Title of publication: Synthesis and Biological Activity of Novel Succinate Dehydrogenase Inhibitor Derivatives as Potent Fungicide Candidates.
• Authors of publication: Yang, Dongyan; Zhao, Bin; Fan, Zhijin; Yu, Bin; Zhang, Nailou; Li, Zhengming; Zhu, Yilin; Zhou, Jinghui; Kalinina, Tatiana A.; Glukhareva, Tatiana V.
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2019
• Journal volume: 67
• Journal issue: 47
• Pages of publication: 13185 - 13194
• a: 10.994 ± 0.002 Å
• b: 19.344 ± 0.004 Å
• c: 8.4094 ± 0.0017 Å
• α: 90°
• β: 100.34 ± 0.03°
• γ: 90°
• Cell volume: 1759.4 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0923
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No