Information card for entry 7239364

Structure parameters

• Chemical name: 1-((4-(2-(4-cyanophenyl)hydrazono)-1-oxo-1,4 -dihydronaphthalen-2-yl)methyl)piperidin-1-ium hydrogensulfate methanol solvate
• Formula: C24 H28 N4 O6 S
• Calculated formula: C24 H28 N4 O6 S
• Title of publication: Controlled tautomerism ‒ switching caused by an “underground” anionic effect
• Authors of publication: Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 47
• Pages of publication: 25410
• a: 16.448 ± 0.005 Å
• b: 6.722 ± 0.005 Å
• c: 23.296 ± 0.005 Å
• α: 90 ± 0.005°
• β: 110.275 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2416 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1405
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No