Crystallography Open Database

Information card for entry 1569474

Preview

Coordinates	1569474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cl2 N3 O Zn
Calculated formula	C21 H15 Cl2 N3 O Zn
SMILES	[Zn]12([n]3c4c(cccc4)ccc3C=[N]2c2c(O1)cc(Cl)cc2)([n]1ccccc1)Cl
Title of publication	Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.
Authors of publication	Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	12
Pages of publication	4876
a	9.607 ± 0.005 Å
b	10.533 ± 0.006 Å
c	11.07 ± 0.007 Å
α	79.41 ± 0.05°
β	64.7 ± 0.06°
γ	87.98 ± 0.04°
Cell volume	994.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296.15 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	0.1161
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1902
Weighted residual factors for all reflections included in the refinement	0.2492
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
285038 (current)	2023-07-06	cif/ Adding structures of 1569474 via cif-deposit CGI script.	1569474.cif