Information card for entry 2222236

Structure parameters

• Chemical name: <i>N</i>-(4-Hydroxyphenyl)-2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol- 2-yl)acetamide
• Formula: C15 H12 N2 O5 S
• Calculated formula: C15 H12 N2 O5 S
• SMILES: S1(=O)(=O)N(C(=O)c2ccccc12)CC(=O)Nc1ccc(O)cc1
• Title of publication: <i>N</i>-(4-Hydroxyphenyl)-2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide
• Authors of publication: Verma, Abha; Stevens, Edwin D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1667
• a: 16.3588 ± 0.001 Å
• b: 9.6451 ± 0.0006 Å
• c: 9.9603 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1571.56 ± 0.17 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes