Information card for entry 2219651

Structure parameters

• Common name: 4-Hydroxy-3-carbomethoxy-2<i>H</i>-1,2-benzothiazine 1,1-dioxide
• Chemical name: Methyl 4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide
• Formula: C10 H9 N O5 S
• Calculated formula: C10 H9 N O5 S
• SMILES: S1(=O)(=O)NC(=C(O)c2c1cccc2)C(=O)OC
• Title of publication: Methyl 4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide
• Authors of publication: Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Bukhari, Mujahid Hussain; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1922
• a: 7.777 ± 0.002 Å
• b: 10.932 ± 0.004 Å
• c: 12.89 ± 0.004 Å
• α: 105.569 ± 0.016°
• β: 94.588 ± 0.015°
• γ: 97.763 ± 0.016°
• Cell volume: 1038.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes