Information card for entry 1574503

Structure parameters

• Chemical name: 5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4<i>H</i>-pyran-3-carbonitrile dichloromethane hemisolvate
• Formula: C31 H28 Cl2 F2 N4 O4
• Calculated formula: C30.9999 H27.9998 Cl1.9998 F2 N4 O4
• Title of publication: 5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4H-pyran-3-carbonitrile dichlomethane hemisolvate
• Authors of publication: Nyapola, Carren; Zamisa, Sizwe J.; Omondi, Bernard; Njogu, Eric M.
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 4
• Pages of publication: x250337
• a: 10.867 ± 0.0004 Å
• b: 15.2671 ± 0.0006 Å
• c: 19.1569 ± 0.0008 Å
• α: 90°
• β: 97.463 ± 0.002°
• γ: 90°
• Cell volume: 3151.4 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No