Information card for entry 7240487

Structure parameters

• Formula: C17 H16 Cl N6 O5 S
• Calculated formula: C17 H19 Cl N6 O5 S
• SMILES: S(=O)(=O)(NC(=O)Nc1nc(nc(OC)n1)C)c1c(Cl)ccc(N(C(=O)C2CC2)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: 7.8939 ± 0.0016 Å
• b: 8.9985 ± 0.0018 Å
• c: 14.466 ± 0.003 Å
• α: 85.32 ± 0.03°
• β: 81.63 ± 0.03°
• γ: 72.73 ± 0.03°
• Cell volume: 970 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.0676
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No