Information card for entry 4510596

Structure parameters

• Common name: Lornoxicam Hydrochloride 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-enol 1,1-dioxide) hydrochloride salt
• Formula: C13 H11 Cl2 N3 O4 S2
• Calculated formula: C13 H11 Cl2 N3 O4 S2
• SMILES: S1(=O)(=O)N(C(=C(O)c2sc(Cl)cc12)C(=O)Nc1[nH+]cccc1)C.[Cl-]
• 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: 6.8795 ± 0.0005 Å
• b: 9.1606 ± 0.0008 Å
• c: 26.201 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1651.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No