Crystallography Open Database

Information card for entry 2232592

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Structure parameters

Chemical name	2,3-Diaminopyridinium 6-carboxypyridine-2-carboxylate
Formula	C12 H12 N4 O4
Calculated formula	C12 H12 N4 O4
SMILES	O=C(O)c1nc(C(=O)[O-])ccc1.c1(c([nH+]ccc1)N)N
Title of publication	2,3-Diaminopyridinium 6-carboxypyridine-2-carboxylate
Authors of publication	Foroughian, Mahsa; Foroumadi, Alireza; Notash, Behrouz; Bruno, Giuseppe; Amiri Rudbari, Hadi; Aghabozorg, Hossein
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	12
Pages of publication	o3325
a	6.9138 ± 0.0001 Å
b	8.3364 ± 0.0002 Å
c	11.2358 ± 0.0002 Å
α	81.448 ± 0.001°
β	73.831 ± 0.001°
γ	82.486 ± 0.001°
Cell volume	612.33 ± 0.02 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0389
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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