Crystallography Open Database

Information card for entry 7240753

Preview

Coordinates	7240753.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn-ornidazole
Formula	C14 H20 Cl4 N6 O6 Zn
Calculated formula	C14 H20 Cl4 N6 O6 Zn
SMILES	[Zn](Cl)([n]1c(n(C[C@@H](CCl)O)c(N(=O)=O)c1)C)(Cl)[n]1c(n(C[C@@H](CCl)O)c(N(=O)=O)c1)C.[Zn](Cl)([n]1c(n(C[C@H](CCl)O)c(N(=O)=O)c1)C)(Cl)[n]1c(n(C[C@H](CCl)O)c(N(=O)=O)c1)C
Title of publication	A ZnII complex of ornidazole with decreased nitro radical anions that is still highly active on Entamoeba histolytica
Authors of publication	Nandy, Promita; Singha, Soumen; Banyal, Neha; Kumar, Sanjay; Mukhopadhyay, Kasturi; Das, Saurabh
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	39
Pages of publication	23286 - 23296
a	10.4077 Å
b	7.7565 Å
c	27.7255 Å
α	90°
β	90°
γ	90°
Cell volume	2238.21 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	Cu-Kα1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258030 (current)	2020-10-06	cif/ Updating files of 7240753 Original log message: Adding full bibliography for 7240753.cif.	7240753.cif
253232	2020-06-18	cif/ Adding structures of 7240753 via cif-deposit CGI script.	7240753.cif