Information card for entry 7240488

Structure parameters

• Formula: C16 H19 Cl N6 O4 S
• Calculated formula: C16 H19 Cl N6 O4 S
• SMILES: S(=O)(=O)(NC(=O)Nc1nc(OC)nc(n1)C)c1c(Cl)ccc(N(CC=C)C)c1
• Title of publication: Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil
• Authors of publication: Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 17870 - 17880
• a: 10.2847 ± 0.0005 Å
• b: 17.1412 ± 0.0007 Å
• c: 11.241 ± 0.0005 Å
• α: 90°
• β: 102.533 ± 0.005°
• γ: 90°
• Cell volume: 1934.48 ± 0.15 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: 0.0589
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1345
• 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