Information card for entry 1574546

Structure parameters

• Common name: tyramine
• Chemical name: 4-(2-aminoethyl)phenol
• Formula: C8 H11 N O
• Calculated formula: C8 H11 N O
• Title of publication: Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective.
• Authors of publication: Grabowski, Szymon; Nowakowska, Klaudia; Butkiewicz, Helena; Hoser, Anna; Wesełucha-Birczyńska, Aleksandra; Seidler, Tomasz; Moskal, Paulina; Gryl, Marlena
• Journal of publication: IUCrJ
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 3
• a: 5.4977 ± 0.0002 Å
• b: 8.9826 ± 0.0004 Å
• c: 14.6789 ± 0.0007 Å
• α: 85.742 ± 0.004°
• β: 89.93 ± 0.004°
• γ: 81.52 ± 0.004°
• Cell volume: 714.96 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No