Information card for entry 8107506

Structure parameters

• Chemical name: 5-amino-2-chloro-4-fluoro-N-(N-isopropyl-N-methylsulfamoyl) benzamide
• Formula: C11 H15 Cl F N3 O3 S
• Calculated formula: C11 H15 Cl F N3 O3 S
• Title of publication: 5-Amino-2-chloro-4-fluoro-N-(N-isopropyl-N-methylsulfamoyl) benzamide, C11H15O3ClFN3S
• Authors of publication: Jie, Wang; Xiao, Shu-Zhen; Cong, Huang; Liu, Ya-Qiang; Peng, Da-Yong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 597 - 598
• a: 7.8107 ± 0.0011 Å
• b: 9.1644 ± 0.0013 Å
• c: 11.3521 ± 0.0015 Å
• α: 67.543 ± 0.002°
• β: 72.776 ± 0.002°
• γ: 88.529 ± 0.002°
• Cell volume: 713.76 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No