Crystallography Open Database

Information card for entry 1565638

Preview

Coordinates	1565638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N4 Ni O2
Calculated formula	C24 H26 N4 Ni O2
SMILES	[Ni]12(Oc3cc(N(CC)CC)ccc3C=[N]2N=C(O1)c1ccccc1)[n]1ccc(cc1)C
Title of publication	Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles
Authors of publication	Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	500
Pages of publication	119222
a	8.5892 ± 0.0003 Å
b	24.3456 ± 0.0012 Å
c	10.7224 ± 0.0004 Å
α	90°
β	95.607 ± 0.003°
γ	90°
Cell volume	2231.43 ± 0.16 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
271310 (current)	2021-12-09	cif/ Adding structures of 1565637, 1565638, 1565639 via cif-deposit CGI script.	1565638.cif