Crystallography Open Database

Information card for entry 7047999

Preview

Coordinates	7047999.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5-chloro-7-{[(2-fluorobenzyl)amino]methyl}quinolin-8-ol
Formula	C17 H17 Cl2 F N2 O2
Calculated formula	C17 H17 Cl2 F N2 O2
Title of publication	Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.
Authors of publication	Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	47
Pages of publication	17032 - 17045
a	7.022 ± 0.0003 Å
b	9.497 ± 0.0005 Å
c	13.823 ± 0.0006 Å
α	95.43 ± 0.002°
β	101.79 ± 0.001°
γ	99.44 ± 0.002°
Cell volume	882.29 ± 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	0.0452
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
229689 (current)	2019-11-17	cif/ Updating files of 7047997, 7047998, 7047999, 7048000, 7048001 Original log message: Adding full bibliography for 7047997--7048001.cif.	7047999.cif
211838	2018-11-08	cif/ Adding structures of 7047997, 7047998, 7047999, 7048000, 7048001 via cif-deposit CGI script.	7047999.cif