Information card for entry 7234921

Structure parameters

• Chemical name: 2-hydroxy-N-isopropyl-3-(4-(2-methoxyethyl)phenoxy)propan-1-aminium nicotinate
• Formula: C21 H30 N2 O5
• Calculated formula: C21 H30 N2 O5
• Title of publication: Metoprolol: solid forms of a top selling antihypertensive
• Authors of publication: Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 4319
• a: 8.174 ± 0.0017 Å
• b: 9.264 ± 0.002 Å
• c: 14.884 ± 0.003 Å
• α: 98.244 ± 0.005°
• β: 96.622 ± 0.004°
• γ: 99.623 ± 0.005°
• Cell volume: 1088.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2085
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No