Information card for entry 2023566

Structure parameters

• Common name: Metaraminol hydrogen tartrate
• Chemical name: 3-[(1<i>R</i>,2<i>S</i>)-2-Azaniumyl-1-hydroxypropyl]phenol (2<i>S</i>,3<i>S</i>)-hydrogen 2,3-dihydroxybutanedioate
• Formula: C13 H19 N O8
• Calculated formula: C13 H19 N O8
• Title of publication: Structure of metaraminol hydrogen tartrate from synchrotron X-ray data and density functional theory calculations
• Authors of publication: Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 7.190512 ± 0.000012 Å
• b: 8.421634 ± 0.000017 Å
• c: 24.69323 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1495.32 ± 0.005 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Weighted residual factors for significantly intense reflections: 0.10545
• Goodness-of-fit parameter for all reflections: 2.744
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.46873 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No