Information card for entry 1567886

Structure parameters

• Chemical name: Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide
• Formula: C26 H30 N6 O4 S
• Calculated formula: C26 H30 N6 O4 S
• Title of publication: Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide
• Authors of publication: Mohamed-Ezzat, Reham A.; Kariuki, Benson M.; Azzam, Rasha A.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 11
• Pages of publication: x221033
• a: 10.4177 ± 0.0004 Å
• b: 11.7104 ± 0.0003 Å
• c: 21.5388 ± 0.0007 Å
• α: 90°
• β: 99.964 ± 0.003°
• γ: 90°
• Cell volume: 2588 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No