Information card for entry 7233209

Structure parameters

• Common name: tenoxicam chloroform II solvate
• Formula: C15 H13 Cl6 N3 O4 S2
• Calculated formula: C15 H13 Cl6 N3 O4 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: 9.596 ± 0.0019 Å
• b: 16.74 ± 0.003 Å
• c: 28.301 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4546.2 ± 1.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7937 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No