Crystallography Open Database

Information card for entry 2229900

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Structure parameters

Common name	<i>N</i>-[(2-oxido-1-naphthyl-κ<i>O</i>)methylidene]benzohydrazidato-\ κ^2^<i>N</i>,<i>O</i>](pyridine)copper(II)
Chemical name	(2-Oxido-1-naphthaldehyde benzoylhydrazonato-κ^3^<i>N</i>,<i>N</i>', <i>O</i>)pyridinecopper(II)
Formula	C23 H17 Cu N3 O2
Calculated formula	C23 H17 Cu N3 O2
SMILES	[Cu]12([N](N=C(O2)c2ccccc2)=Cc2c(O1)ccc1ccccc21)[n]1ccccc1
Title of publication	(2-Oxido-1-naphthaldehyde benzoylhydrazonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)pyridinecopper(II)
Authors of publication	Zou, Li-Fei; Yang, Xiu-Yun; Gao, Ying; Yao, Hai-Bo; Li, Yun-Hui
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	4
Pages of publication	m511
a	11.6196 ± 0.0006 Å
b	8.4254 ± 0.0004 Å
c	19.6194 ± 0.001 Å
α	90°
β	106.247 ± 0.001°
γ	90°
Cell volume	1844.03 ± 0.16 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	5
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	0.0501
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301805 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure.	2229900.cif 2229900.hkl
181220	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/99.	2229900.cif 2229900.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2229900.cif 2229900.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229900.cif 2229900.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2229900.cif 2229900.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229900.cif 2229900.hkl
19531	2011-05-17	hkl/2/ Adding Fobs data for the latest IUCr deposition.	2229900.cif 2229900.hkl
19379	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 2229900 via cif-deposit CGI script.	2229900.cif