Cargando…

Bis{N′-[3-(4-nitro­phen­yl)-1-phenyl­prop-2-en-1-yl­idene]-N-phenyl­carbamimido­thio­ato}zinc(II): crystal structure, Hirshfeld surface analysis and computational study

The title zinc bis­(thio­semicarbazone) complex, [Zn(C(22)H(17)N(4)O(2)S)(2)], comprises two N,S-donor anions, leading to a distorted tetra­hedral N(2)S(2) donor set. The resultant five-membered chelate rings are nearly planar and form a dihedral angle of 73.28 (3)°. The configurations about the end...

Descripción completa

Detalles Bibliográficos
Autores principales: Tan, Ming Yueh, Kwong, Huey Chong, Crouse, Karen A., Ravoof, Thahira B. S. A., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340977/
https://www.ncbi.nlm.nih.gov/pubmed/34422312
http://dx.doi.org/10.1107/S2056989021007398
Descripción
Sumario:The title zinc bis­(thio­semicarbazone) complex, [Zn(C(22)H(17)N(4)O(2)S)(2)], comprises two N,S-donor anions, leading to a distorted tetra­hedral N(2)S(2) donor set. The resultant five-membered chelate rings are nearly planar and form a dihedral angle of 73.28 (3)°. The configurations about the endocyclic- and exocyclic-imine bonds are Z and E, respectively, and that about the ethyl­ene bond is E. The major differences in the conformations of the ligands are seen in the dihedral angles between the chelate ring and nitro­benzene rings [40.48 (6) cf. 13.18 (4)°] and the N-bound phenyl and nitro­benzene ring [43.23 (8) and 22.64 (4)°]. In the crystal, a linear supra­molecular chain along the b-axis direction features amine-N—H⋯O(nitro) hydrogen bonding. The chains assemble along the 2(1)-screw axis through a combination of phenyl-C—H⋯O(nitro) and π(chelate ring)–π(phen­yl) contacts. The double chains are linked into a three-dimensional architecture through phenyl-C—H⋯O(nitro) and nitro-O⋯π(phen­yl) inter­actions.