Crystallography Open Database

Information card for entry 1517989

Preview

Coordinates	1517989.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-4-((2-hydroxyethylimino) methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Formula	C10 H14 N2 O3
Calculated formula	C10 H14 N2 O3
SMILES	Oc1c(c(CO)cnc1C)/C=N/CCO
Title of publication	Water-soluble pyridine-based colorimetric chemosensor for naked eye detection of silver ions: design, synthesis, spectral and theoretical investigation
Authors of publication	Annaraj, B.; Neelakantan, M. A.
Journal of publication	Anal. Methods
Year of publication	2014
Journal volume	6
Journal issue	24
Pages of publication	9610
a	16.3383 ± 0.0013 Å
b	9.6603 ± 0.0013 Å
c	13.6431 ± 0.0012 Å
α	90°
β	113.262 ± 0.007°
γ	90°
Cell volume	1978.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0605
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517989.cif
128209	2014-12-06	cif/ Updating files of 1517989 Original log message: Adding full bibliography for 1517989.cif.	1517989.cif
125334	2014-10-15	cif/ Adding structures of 1517989 via cif-deposit CGI script.	1517989.cif