Information card for entry 2241961

Structure parameters

• Common name: Meloxicam acetylenedicarboxylic acid
• Chemical name: 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazol-2-yl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide‒2-butynedioic acid (2/1)
• Formula: C32 H28 N6 O12 S4
• Calculated formula: C32 H28 N6 O12 S4
• SMILES: c12ccccc1C(=C(N(C)S2(=O)=O)C(=O)Nc1sc(cn1)C)O.OC(=O)C#CC(=O)O.c12ccccc1C(=C(N(C)S2(=O)=O)C(=O)Nc1ncc(s1)C)O
• Title of publication: Crystal structure of a 2:1 co-crystal of meloxicam with acetylendicarboxylic acid
• Authors of publication: Tantardini, Christian; Arkhipov, Sergey G.; Cherkashina, Ksenya A.; Kil'met'ev, Alexander S.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1856 - 1859
• a: 7.3861 ± 0.0003 Å
• b: 8.5629 ± 0.0003 Å
• c: 15.1619 ± 0.0006 Å
• α: 75.839 ± 0.003°
• β: 79.196 ± 0.003°
• γ: 70.1 ± 0.003°
• Cell volume: 868.55 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0471
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes