Information card for entry 3500144

Structure parameters

• Common name: Osimertinib Mesylate Form B
• Chemical name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy -5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop -2-enamide methanesulfonate
• Formula: C29 H37 N7 O5 S
• Calculated formula: C29 H37 N7 O5 S
• Title of publication: Osimertinib Mesylate Form B at 150 K
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2025
• a: 11.3592 ± 0.0005 Å
• b: 11.591 ± 0.0005 Å
• c: 13.1152 ± 0.0005 Å
• α: 69.843 ± 0.002°
• β: 75.895 ± 0.003°
• γ: 67.235 ± 0.003°
• Cell volume: 1482.57 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0587
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes