Crystallography Open Database

Information card for entry 2312524

Preview

Coordinates	2312524.cif
Original IUCr paper	HTML

Structure parameters

Common name	Ammonium 2-amminomalonate
Chemical name	Ammonium 2-azaniumylpropanedioate
Formula	C3 H8 N2 O4
Calculated formula	C3 H8 N2 O4
SMILES	[NH4+].O=C([O-])C(C(=O)[O-])[NH3+]
Title of publication	The crystal structure of the ammonium salt of 2-aminomalonic acid.
Authors of publication	Hollenwäger, Dirk; Nitzer, Alexander; Bockmair, Valentin; Kornath, Andreas J.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	291 - 296
a	9.9714 ± 0.0004 Å
b	9.8671 ± 0.0003 Å
c	11.1884 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1100.81 ± 0.07 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.203
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
293982 (current)	2024-08-07	cif/ Updating files of 2312524 Original log message: Adding full bibliography for 2312524.cif.	2312524.cif
292498	2024-06-21	cif/ Adding structures of 2312524 via cif-deposit CGI script.	2312524.cif