Information card for entry 4510593

Structure parameters

• Common name: Lornoxicam Ammonium salt
• Chemical name: Ammonium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)
• Formula: C13 H13 Cl N4 O4 S2
• Calculated formula: C13 H13 Cl N4 O4 S2
• SMILES: S1(=O)(=O)N(C(=C([O-])c2sc(Cl)cc12)C(=O)Nc1ncccc1)C.[NH4+]
• 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: 7.5577 ± 0.0007 Å
• b: 10.3747 ± 0.0009 Å
• c: 12.0879 ± 0.0012 Å
• α: 68.516 ± 0.009°
• β: 75.433 ± 0.008°
• γ: 70.585 ± 0.008°
• Cell volume: 822.65 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No