Information card for entry 8102396

Structure parameters

• Formula: C17 H18 N2 O5 S
• Calculated formula: C17 H18 N2 O5 S
• SMILES: S(=O)(=O)(N)c1cc(NC(=O)c2ccc(CC)cc2)ccc1C(=O)OC
• Title of publication: Crystal structure of methyl-4-(4-ethylbenzamido)-2-sulfamoylbenzoate, C17H18N2O5S
• Authors of publication: Mei-Yi Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 115
• a: 8.65 ± 0.003 Å
• b: 8.832 ± 0.003 Å
• c: 11.619 ± 0.004 Å
• α: 76.445 ± 0.005°
• β: 79.684 ± 0.005°
• γ: 78.77 ± 0.005°
• Cell volume: 838.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No