Information card for entry 4510592

Structure parameters

• Common name: Lornoxicam Mesylate salt
• Chemical name: (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-ol-1,1-dioxide) Mesylate
• Formula: C14 H14 Cl N3 O7 S3
• Calculated formula: C14 H14 Cl N3 O7 S3
• SMILES: S(=O)(=O)([O-])C.S1(=O)(=O)N(C(=C(O)c2sc(Cl)cc12)C(=O)Nc1[nH+]cccc1)C
• Title of publication: Lornoxicam Salts: Crystal Structures, Conformations, and Solubility
• Authors of publication: Suresh, Kuthuru; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2945
• a: 13.473 ± 0.0011 Å
• b: 13.2684 ± 0.0008 Å
• c: 11.2407 ± 0.0008 Å
• α: 90°
• β: 111.707 ± 0.009°
• γ: 90°
• Cell volume: 1867 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No