Information card for entry 7233208

Structure parameters

• Common name: tenoxicam acetone solvate
• Formula: C16 H17 N3 O5 S2
• Calculated formula: C16 H17 N3 O5 S2
• Title of publication: The role of S-bond in tenoxicam keto‒enolic tautomerization
• Authors of publication: Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 36
• Pages of publication: 5392
• a: 8.9341 ± 0.0004 Å
• b: 8.9659 ± 0.0005 Å
• c: 11.9315 ± 0.0006 Å
• α: 75.325 ± 0.004°
• β: 81.348 ± 0.004°
• γ: 89.62 ± 0.004°
• Cell volume: 913.55 ± 0.08 ų
• Cell temperature: 293 ± 2 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: 0.0518
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No