Crystallography Open Database

Information card for entry 7224147

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Structure parameters

Formula	C24 H24 Br2 Cl2 Cu N2 O2
Calculated formula	C24 H24 Br2 Cl2 Cu N2 O2
SMILES	[Cu]12([N](=Cc3c(O1)c(cc(c3)Cl)Br)C1CCCC1)[N](=Cc1c(c(cc(c1)Cl)Br)O2)C1CCCC1
Title of publication	Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes
Authors of publication	You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang
Journal of publication	RSC Adv.
Year of publication	2016
a	9.2353 ± 0.0008 Å
b	12.4758 ± 0.0006 Å
c	11.1404 ± 0.0009 Å
α	90°
β	109.349 ± 0.003°
γ	90°
Cell volume	1211.07 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0536
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224147.cif
176225	2016-02-05	cif/ Adding structures of 7224139, 7224140, 7224141, 7224142, 7224143, 7224144, 7224145, 7224146, 7224147 via cif-deposit CGI script.	7224147.cif