Information card for entry 7236044

Structure parameters

• Formula: C19 H17 F3 N5 O
• Calculated formula: C19 H17 F3 N5 O
• Title of publication: Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate
• Authors of publication: Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 36
• Pages of publication: 30056
• a: 11.0546 ± 0.0015 Å
• b: 19.664 ± 0.003 Å
• c: 17.9966 ± 0.0016 Å
• α: 90°
• β: 105.746 ± 0.01°
• γ: 90°
• Cell volume: 3765.3 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No