Crystallography Open Database

Information card for entry 7061641

Preview

Coordinates	7061641.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Metformin malonate
Formula	C7 H15 N5 O4
Calculated formula	C7 H15 N5 O4
SMILES	O=C([O-])CC(=O)O.[NH2+]=C(N=C(N)N(C)C)N
Title of publication	Solid-state landscape and biopharmaceutical implications of novel metformin-based salts
Authors of publication	Diniz, Luan F.; Carvalho, Paulo S.; Gonçalves, José E.; Diniz, Renata; Fernandes, Christian
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	28
Pages of publication	13725 - 13737
a	12.5378 ± 0.0005 Å
b	5.006 ± 0.0002 Å
c	17.6122 ± 0.0007 Å
α	90°
β	91.971 ± 0.004°
γ	90°
Cell volume	1104.76 ± 0.08 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
277116 (current)	2022-08-06	cif/ Updating files of 7061640, 7061641, 7061642 Original log message: Adding full bibliography for 7061640--7061642.cif.	7061641.cif
276493	2022-07-02	cif/ Adding structures of 7061640, 7061641, 7061642 via cif-deposit CGI script.	7061641.cif