Information card for entry 7234920

Structure parameters

• Common name: metropolol
• Chemical name: 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol]
• Formula: C15 H25 N O3
• Calculated formula: C15 H25 N O3
• 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: 16.54 ± 0.02 Å
• b: 5.411 ± 0.007 Å
• c: 17.9 ± 0.02 Å
• α: 90°
• β: 100.47 ± 0.02°
• γ: 90°
• Cell volume: 1575 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.4226
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No