Information card for entry 2240001

Structure parameters

• Chemical name: <i>N</i>-dichlorofluoromethylthio-<i>N</i>',<i>N</i>'-dimethyl-<i>N</i>-<i>p</i>-tolylsulfamide
• Formula: C10 H13 Cl2 F N2 O2 S2
• Calculated formula: C10 H13 Cl2 F N2 O2 S2
• Title of publication: Crystal structure of tolylfluanid
• Authors of publication: Cho, Seonghwa; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1114 - o1115
• a: 23.7638 ± 0.0019 Å
• b: 8.7046 ± 0.0007 Å
• c: 14.6559 ± 0.0011 Å
• α: 90°
• β: 102.133 ± 0.003°
• γ: 90°
• Cell volume: 2963.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes