Information card for entry 4507689

Structure parameters

• Formula: C19 H17 N3 O6 S2
• Calculated formula: C19 H17 N3 O6 S2
• SMILES: S1(=O)(=O)N(C(=C([O-])c2sccc12)C(=O)Nc1[nH+]cccc1)C.Oc1cc(O)ccc1
• Title of publication: Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts
• Authors of publication: Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1988
• a: 9.117 ± 0.001 Å
• b: 9.8388 ± 0.0012 Å
• c: 11.424 ± 0.0012 Å
• α: 106.074 ± 0.01°
• β: 90.432 ± 0.009°
• γ: 93.503 ± 0.01°
• Cell volume: 982.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1415
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2183
• Weighted residual factors for all reflections included in the refinement: 0.2615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No