Information card for entry 4507680

Structure parameters

• Formula: C20 H17 N3 O6 S2
• Calculated formula: C20 H17 N3 O6 S2
• SMILES: S1(=O)(=O)N(C(=C([O-])Nc2[nH+]cccc2)C(=O)c2sccc12)C.OC(=O)c1ccccc1
• 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: 9.0697 ± 0.0009 Å
• b: 10.8773 ± 0.0011 Å
• c: 11.794 ± 0.0009 Å
• α: 105.197 ± 0.008°
• β: 96.812 ± 0.007°
• γ: 107.752 ± 0.009°
• Cell volume: 1044.12 ± 0.19 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: 0.1196
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No