Crystallography Open Database

Information card for entry 1512786

Preview

Structure parameters

Formula	C18 H13 Cu N5 O7
Calculated formula	C18 H13 Cu N5 O7
SMILES	[Cu]12([N](N=C(O1)c1c(O)c(N(=O)=O)c3ccccc3c1)=C(c1[n]2cccc1)C)ON(=O)=O
Title of publication	Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes
Authors of publication	Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	526 - 534
a	13.1801 ± 0.0005 Å
b	15.175 ± 0.0006 Å
c	16.0452 ± 0.0006 Å
α	106.596 ± 0.0019°
β	106.734 ± 0.002°
γ	107.099 ± 0.0019°
Cell volume	2686.3 ± 0.2 Å³
Cell temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation probe	x-ray
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1512786.cif
215051	2019-05-13	cif/1 Fixing Z values and formulae	1512786.cif
176729	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.	1512786.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512786.cif
90871	2013-11-20	cif/ Adding structures of 1512786 via cif-deposit CGI script.	1512786.cif