Crystallography Open Database

Information card for entry 1574546

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Coordinates	1574546.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
299443 (current)	2025-04-29	cif/ Adding structures of 1574545, 1574546, 1574547, 1574548 via cif-deposit CGI script.	1574546.cif