Crystallography Open Database

Information card for entry 7038537

Preview

Coordinates	7038537.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5-hydroxy-2-hydroxymethylpyridin-4(1H)-one
Formula	C6 H7 N O3
Calculated formula	C6 H7 N O3
SMILES	[O]=c1cc([nH]cc1O)CO
Title of publication	Hydroxypyridinones with enhanced iron chelating properties. Synthesis, characterization and in vivo tests of 5-hydroxy-2-(hydroxymethyl)pyridine-4(1H)-one.
Authors of publication	Lachowicz, J. I.; Nurchi, V. M.; Crisponi, G.; Jaraquemada-Pelaez, M G; Arca, M.; Pintus, A.; Santos, M. A.; Quintanova, C.; Gano, L.; Szewczuk, Z.; Zoroddu, M. A.; Peana, M.; Domínguez-Martín, A; Choquesillo-Lazarte, D
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	15
Pages of publication	6517 - 6528
a	6.841 ± 0.0004 Å
b	7.0291 ± 0.0003 Å
c	12.6402 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	607.82 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
182707 (current)	2016-05-06	cif/ Updating files of 7038537 Original log message: Adding full bibliography for 7038537.cif.	7038537.cif
176854	2016-02-24	cif/ Adding structures of 7038537 via cif-deposit CGI script.	7038537.cif