Information card for entry 2237520

Structure parameters

• Common name: LY-4
• Chemical name: 4-Nitrophenyl <i>N</i>-(2-sulfamoylphenyl)carbamate
• Formula: C13 H11 N3 O6 S
• Calculated formula: C13 H11 N3 O6 S
• SMILES: c1(c(cccc1)S(=O)(=O)N)NC(=O)Oc1ccc(cc1)N(=O)=O
• Title of publication: 4-Nitrophenyl <i>N</i>-(2-sulfamoylphenyl)carbamate
• Authors of publication: Yu, Wenying; Li, Chenglong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o355
• a: 8.273 ± 0.0002 Å
• b: 8.4881 ± 0.0002 Å
• c: 10.4288 ± 0.0002 Å
• α: 95.178 ± 0.001°
• β: 103.507 ± 0.001°
• γ: 94.109 ± 0.001°
• Cell volume: 705.91 ± 0.03 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes