Crystallography Open Database

Information card for entry 2224065

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Structure parameters

Chemical name	2-Aminopyrimidinium hydrogen oxalate monohydrate
Formula	C6 H9 N3 O5
Calculated formula	C6 H9 N3 O5
SMILES	[nH+]1c(N)nccc1.O=C([O-])C(=O)O.O
Title of publication	2-Aminopyrimidinium hydrogen oxalate monohydrate
Authors of publication	Eshtiagh-Hosseini, Hossein; Yousefi, Zakieh; Mirzaei, Masoud
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	11
Pages of publication	o2816
a	6.295 ± 0.002 Å
b	6.339 ± 0.002 Å
c	11.111 ± 0.004 Å
α	75.045 ± 0.006°
β	84.302 ± 0.006°
γ	86.026 ± 0.007°
Cell volume	425.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0943
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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