Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κN3]copper(II) bromide.
Acta Crystallogr E Crystallogr Commun
; 80(Pt 4): 408-412, 2024 Mar 01.
Article
em En
| MEDLINE
| ID: mdl-38584734
ABSTRACT
A novel cationic complex, bromido-tetra-kis-[5-(prop-2-en-1-ylsulfan-yl)-1,3,4-thia-diazol-2-amine-κN 3]copper(II) bromide, [CuBr](C5H7N3S2)4Br, was synthesized. The complex crystallizes with fourfold mol-ecular symmetry in the tetra-gonal space group P4/n. The CuII atom exhibits a square-pyramidal coord-ination geometry. The Cu atom is located centrally within the complex, being coordinated by four nitro-gen atoms from four AAT mol-ecules, while a bromine anion is located at the apex of the pyramid. The amino H atoms of AAT inter-act with bromine from the inner and outer spheres, forming a two-dimensional network in the [100] and [010] directions. Hirshfeld surface analysis reveals that 33.7% of the inter-mol-ecular inter-actions are from Hâ¯H contacts, 21.2% are from Sâ¯H/Hâ¯S contacts, 13.4% are from Sâ¯S contacts and 11.0% are from Câ¯H/Hâ¯C, while other contributions are from Brâ¯H/Hâ¯Br and Nâ¯H/Hâ¯N contacts.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article