Crystallography Open Database

Information card for entry 7055643

Preview

Coordinates	7055643.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dichlorido-bis[N-(4-methoxyphenyl)acetamide-O]-zinc(II)
Formula	C18 H22 Cl2 N2 O4 Zn
Calculated formula	C18 H22 Cl2 N2 O4 Zn
SMILES	CC(=[O][Zn](Cl)([O]=C(C)Nc1ccc(cc1)OC)Cl)Nc1ccc(cc1)OC
Title of publication	Exploiting the potential of aryl acetamide derived Zn(ii) complexes in medicinal chemistry: synthesis, structural analysis, assessment of biological profile and molecular docking studies
Authors of publication	Sultana, Kishwar; Zaib, Sumera; Hassan Khan, Najm ul; Khan, Imtiaz; Shahid, Khadija; Simpson, Jim; Iqbal, Jamshed
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	8
Pages of publication	7084
a	16.8955 ± 0.0006 Å
b	10.3515 ± 0.0004 Å
c	11.5475 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2019.59 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185615 (current)	2016-08-07	cif/ Updating files of 7055643 Original log message: Adding full bibliography for 7055643.cif.	7055643.cif
183704	2016-06-18	cif/ Adding structures of 7055643 via cif-deposit CGI script.	7055643.cif