A C(π-hole)⋯Cl–Zn tetrel interaction driving a metal–organic supramolecular assembly. Issue 42 (22nd October 2020)

• Record Type: Journal Article
• Authors: Ramírez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belen; Ballesteros, Rafael; Alcorta, Ibon; Elguero, José; Escrivà, Emilio
• Is Part Of: CrystEngComm. Volume 22:Issue 42(2020)
• Page Start: 6979
• Page End: 6982
• Publication Date: 2020-10-22
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/d0ce01272f
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(π-hole)⋯Cl–Zn tetrel interaction that drives the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2 )2 (μ-bptpy)2 ] crystals. Abstract : A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(π-hole)⋯Cl–Zn tetrel interaction that plays a determining role in the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2 )2 (μ-bptpy)2 ] crystals. Supramolecular chains are formed through C–H⋯X interactions. The observed interactions are supported by DFT calculations using model dimers.