Information card for entry 2241932

Structure parameters

• Common name: Piroxicam‒gentisic acid (2/1)
• Chemical name: 4-Hydroxy-1,1-dioxo-<i>N</i>-(pyridin-2-yl)-2<i>H</i>-1λ^6^,2-benzothiazine-3-carboxamide‒2-(4-oxido-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazine-3-amido)pyridin-1-ium‒2,5-dihydroxybenzoic acid
• Formula: C37 H32 N6 O12 S2
• Calculated formula: C37 H32 N6 O12 S2
• Title of publication: Crystal structure of a 2:1 piroxicam‒gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules
• Authors of publication: Horstman, Elizabeth M.; Bertke, Jeffery A.; Woods, Toby J.; Kenis, Paul J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1714 - 1717
• a: 8.8764 ± 0.0003 Å
• b: 13.406 ± 0.0005 Å
• c: 15.2678 ± 0.0006 Å
• α: 80.466 ± 0.0015°
• β: 85.4332 ± 0.0015°
• γ: 78.4602 ± 0.0015°
• Cell volume: 1753.48 ± 0.11 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 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: 0.0384
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes