Crystallography Open Database

Information card for entry 7234920

Preview

Coordinates	7234920.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
223241 (current)	2019-11-05	cif/ Adding structures of 7234920, 7234921 via cif-deposit CGI script.	7234920.cif