Information card for entry 7233210

Structure parameters

• Common name: tenoxicam acetonitrile solvat
• Formula: C15 H14 N4 O4 S2
• Calculated formula: C15 H14 N4 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: 9.1718 ± 0.0003 Å
• b: 8.9965 ± 0.0003 Å
• c: 21.1092 ± 0.0008 Å
• α: 90°
• β: 98.591 ± 0.004°
• γ: 90°
• Cell volume: 1722.26 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No