Information card for entry 7240753

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 ų
• 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 Fobs: No