Information card for entry 7236043

Structure parameters

• Formula: C17 H13 F3 N4 O
• Calculated formula: C17 H13 F3 N4 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: 14.1362 ± 0.0007 Å
• b: 14.3909 ± 0.0005 Å
• c: 18.0057 ± 0.0008 Å
• α: 66.933 ± 0.004°
• β: 67.968 ± 0.004°
• γ: 89.57 ± 0.003°
• Cell volume: 3081.9 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.081
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No