Information card for entry 1568658

Structure parameters

• Common name: Meloxicam hydrochloride or 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazolium-2-yl)-2<i>H</i>-1,2-\ benzothiazine-3-carboxamide 1,1-dioxide chloride
• Chemical name: 2-(4-Hydroxy-2-methyl-1,1-dioxo-1,2-benzothiazine-3-amido)-5-methyl-1,3-thiazol-3-ium chloride
• Formula: C14 H14 Cl N3 O4 S2
• Calculated formula: C14 H14 Cl N3 O4 S2
• SMILES: [Cl-].s1c(C)c[nH+]c1NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
• Title of publication: Meloxicam hydrochloride
• Authors of publication: Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 3
• Pages of publication: x230202
• a: 11.338 ± 0.0006 Å
• b: 10.7346 ± 0.0005 Å
• c: 14.5503 ± 0.001 Å
• α: 90°
• β: 109.43 ± 0.005°
• γ: 90°
• Cell volume: 1670.05 ± 0.17 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.0721
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No