Crystallography Open Database

Information card for entry 7232770

Preview

Coordinates	7232770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 N5 O4
Calculated formula	C13 H19 N5 O4
Title of publication	Characterization of drug‒drug salt forms of metformin and aspirin with improved physicochemical properties
Authors of publication	Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	25
Pages of publication	3770
a	9.982 ± 0.004 Å
b	10.918 ± 0.003 Å
c	15.273 ± 0.002 Å
α	90°
β	107.315 ± 0.005°
γ	90°
Cell volume	1589.1 ± 0.8 Å³
Cell temperature	205 K
Ambient diffraction temperature	205 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	0.0847
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
223615 (current)	2019-11-07	cif/ Updating files of 7232770, 7232771 Original log message: Adding full bibliography for 7232770--7232771.cif.	7232770.cif
215036	2019-05-11	cif/ Adding structures of 7232770, 7232771 via cif-deposit CGI script.	7232770.cif