Crystallography Open Database

Information card for entry 2243832

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Structure parameters

Common name	3,6-Dihydroxypicolinic acid
Chemical name	3-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
Formula	C6 H5 N O4
Calculated formula	C6 H5 N O4
Title of publication	Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate
Authors of publication	Behrman, Edward J.; Parkin, Sean
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	6
Pages of publication	623 - 628
a	10.2045 ± 0.0006 Å
b	6.1282 ± 0.0004 Å
c	9.7293 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	608.42 ± 0.07 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	4
Space group number	39
Hermann-Mauguin space group symbol	A e m 2
Hall space group symbol	A 2 -2b
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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