Crystallography Open Database

Information card for entry 7716018

Preview

Coordinates	7716018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 N4 O
Calculated formula	C17 H18 N4 O
SMILES	Oc1c2nc(ccc2ccc1)/C=N/CCCn1c(ncc1)C
Title of publication	Enhanced selectivity towards melanoma cells with zinc(II)-Schiff bases containing imidazole derivatives.
Authors of publication	Côrte-Real, Leonor; Sergi, Baris; Yildirim, Busra; Colucas, Raquel; Starosta, Radosław; Fontrodona, Xavier; Romero, Isabel; André, Vânia; Acilan, Ceyda; Correia, Isabel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	22
Pages of publication	9416 - 9432
a	8.439 ± 0.002 Å
b	17.238 ± 0.004 Å
c	10.585 ± 0.003 Å
α	90°
β	105.652 ± 0.01°
γ	90°
Cell volume	1482.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1138
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7716018.cif
293012	2024-07-05	cif/ Updating files of 7716017, 7716018 Original log message: Adding full bibliography for 7716017--7716018.cif.	7716018.cif
291835	2024-05-14	cif/ Adding structures of 7716017, 7716018 via cif-deposit CGI script.	7716018.cif