Information card for entry 2240833

Structure parameters

• Common name: azimsulfuron
• Chemical name: 1-(4,6-Dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2<i>H</i>-tetrazol-5-yl)pyrazol-5-ylsulfonyl]urea
• Formula: C13 H16 N10 O5 S
• Calculated formula: C13 H16 N10 O5 S
• SMILES: S(=O)(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c1n(ncc1c1nn(nn1)C)C
• Title of publication: Crystal structure of azimsulfuron
• Authors of publication: Jeon, Youngeun; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o470 - o471
• a: 8.5884 ± 0.0007 Å
• b: 9.9165 ± 0.0007 Å
• c: 12.2788 ± 0.0013 Å
• α: 73.19 ± 0.005°
• β: 75.819 ± 0.004°
• γ: 66.374 ± 0.003°
• Cell volume: 907.16 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes