Information card for entry 2212033

Structure parameters

• Chemical name: N-[2-(Aminocarbonyl)phenyl]-4-hydroxy-2-methyl-2H-1,2-benzothiazine- 3-carboxamide-1,1-dioxide dimethyl sulfoxide solvate
• Formula: C19 H21 N3 O6 S2
• Calculated formula: C19 H21 N3 O6 S2
• SMILES: N1(S(=O)(=O)c2ccccc2C(=C1C(=O)Nc1c(cccc1)C(=O)N)O)C.S(=O)(C)C
• Title of publication: <i>N</i>-[2-(Aminocarbonyl)phenyl]-4-hydroxy-2-methyl-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide dimethyl sulfoxide solvate
• Authors of publication: Zia-ur-Rehman, Muhammad; Choudary, Jamil Anwar; Elsegood, Mark R. J.; Siddiqui, Hamid Latif; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o900 - o901
• a: 8.4973 ± 0.0002 Å
• b: 10.1959 ± 0.0004 Å
• c: 12.0545 ± 0.0004 Å
• α: 92.132 ± 0.002°
• β: 101.54 ± 0.002°
• γ: 95.55 ± 0.002°
• Cell volume: 1016.75 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes