Crystallography Open Database

Information card for entry 2238719

Preview

Coordinates	2238719.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido{2-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]-<i>N</i>-phenylhydrazinecarboxamide-κ^2^<i>N</i>^2^,<i>O</i>}copper(II)
Formula	C19 H16 Cl2 Cu N4 O
Calculated formula	C19 H16 Cl2 Cu N4 O
SMILES	[Cu]12(Cl)(Cl)[O]=C(N[N]2=C(c2[n]1cccc2)c1ccccc1)Nc1ccccc1
Title of publication	Dichlorido{2-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]-<i>N</i>-phenylhydrazinecarboxamide-κ^2^<i>N</i>^2^,<i>O</i>}copper(II)
Authors of publication	Aiswarya, N.; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m588 - m589
a	9.4483 ± 0.0005 Å
b	9.8197 ± 0.0003 Å
c	11.5307 ± 0.0004 Å
α	104.067 ± 0.001°
β	103.026 ± 0.001°
γ	100.475 ± 0.001°
Cell volume	978.83 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238719.cif
91117	2013-12-09	cif/ Adding structures of 2238719 via cif-deposit CGI script.	2238719.cif