Information card for entry 2223304

Structure parameters

• Common name: Piperidinium 4-hydroxy-3-(methoxycarbonyl)-1,2-benzothiazin-2-ide 1,1-dioxide
• Chemical name: Piperidinium 4-hydroxy-3-(methoxycarbonyl)-1,2-benzothiazin-2-ide 1,1-dioxide
• Formula: C15 H20 N2 O5 S
• Calculated formula: C15 H20 N2 O5 S
• SMILES: S1([O-])(=O)=NC(=C(O)c2ccccc12)C(=O)OC.[NH2+]1CCCCC1
• Title of publication: Piperidinium 4-hydroxy-3-methoxycarbonyl-1,2-benzothiazin-2-ide 1,1-dioxide
• Authors of publication: Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Ahmed, Naveed; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2451
• a: 12.0423 ± 0.0005 Å
• b: 9.1791 ± 0.0003 Å
• c: 14.5193 ± 0.0005 Å
• α: 90°
• β: 90.556 ± 0.002°
• γ: 90°
• Cell volume: 1604.85 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes