Crystallography Open Database

Information card for entry 7217759

Preview

Coordinates	7217759.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl) methylene)benzohydrazide
Formula	C15 H15 N3 O3
Calculated formula	C15 H15 N3 O3
SMILES	C(=O)(c1ccccc1)N/N=C/c1c(cnc(c1O)C)CO
Title of publication	Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions
Authors of publication	Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja
Journal of publication	RSC Advances
Year of publication	2014
a	8.537 ± 0.004 Å
b	13.573 ± 0.005 Å
c	12.29 ± 0.005 Å
α	90°
β	90.66 ± 0.04°
γ	90°
Cell volume	1424 ± 1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	0.845
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
180508 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77.	7217759.cif
121959	2014-08-15	cif/ Adding structures of 7217757, 7217758, 7217759, 7217760, 7217761, 7217762 via cif-deposit CGI script.	7217759.cif