Crystallography Open Database

Information card for entry 2016254

2016253 << 2016254 >> 2016255

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Structure parameters

Common name	Pyridoxal-2-hydroxyethylimine
Chemical name	5-Hydroxymethyl-4-[(2-hydroxyethyl)iminomethyl]-2-methylpyridin-3-ol
Formula	C10 H14 N2 O3
Calculated formula	C10 H14 N2 O3
SMILES	n1c(c(O)c(c(c1)CO)/C=N/CCO)C
Title of publication	4-[(2-Hydroxyethyl)iminomethyl]-5-hydroxymethyl-2-methylpyridin-3-ol
Authors of publication	Böhme, Uwe; Günther, Betty
Journal of publication	Acta Crystallographica Section C
Year of publication	2007
Journal volume	63
Journal issue	11
Pages of publication	o641 - o642
a	16.2739 ± 0.0005 Å
b	9.6403 ± 0.0003 Å
c	13.5513 ± 0.0004 Å
α	90°
β	113.069 ± 0.002°
γ	90°
Cell volume	1955.99 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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