Information card for entry 1552557

Structure parameters

• Formula: C19 H15 F4 N2 O3 S2
• Calculated formula: C19 H15 F4 N2 O3 S2
• SMILES: s1c(C(=O)Nc2c(c3cc(F)c(F)c(F)c3)cc(F)cc2)c(O)nc1C.S(=O)(C)C
• Title of publication: Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.
• Authors of publication: Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2019
• Journal volume: 67
• Journal issue: 6
• Pages of publication: 1647 - 1655
• a: 7.2642 ± 0.0015 Å
• b: 11.55 ± 0.002 Å
• c: 13.424 ± 0.003 Å
• α: 69.71 ± 0.03°
• β: 84.79 ± 0.03°
• γ: 73.31 ± 0.03°
• Cell volume: 1011.9 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No