Information card for entry 4507688

Structure parameters

• Formula: C19 H17 N3 O7 S2
• Calculated formula: C19 H17 N3 O7 S2
• SMILES: S1(=O)(=O)N(C(=C([O-])c2sccc12)C(=O)Nc1[nH+]cccc1)C.Oc1c(O)cccc1O
• 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: 9.2566 ± 0.0007 Å
• b: 9.4512 ± 0.0011 Å
• c: 11.6875 ± 0.0012 Å
• α: 75.01 ± 0.01°
• β: 87.291 ± 0.007°
• γ: 89.025 ± 0.008°
• Cell volume: 986.58 ± 0.18 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: 0.0978
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No