Issue 45, 2014

Investigation of putative arene-C–H⋯π(quasi-chelate ring) interactions in copper(i) crystal structures

Abstract

Evidence for C–H⋯π(CuCl⋯HNCS) interactions, i.e. C–H⋯π(quasi-chelate ring) where a six-membered quasi-chelate ring is closed by an N–H⋯Cl hydrogen bond, is presented based on crystal structure analyses of (Ph3P)2Cu[ROC([double bond, length as m-dash]S)N(H)Ph]Cl. Similar intramolecular interactions are identified in related literature structures. Calculations suggest that the energy of attraction provided by such interactions approximates 3.5 kcal mol−1.

Graphical abstract: Investigation of putative arene-C–H⋯π(quasi-chelate ring) interactions in copper(i) crystal structures

Supplementary files

Article information

Article type
Communication
Submitted
19 Mar 2014
Accepted
14 Apr 2014
First published
15 Apr 2014

Chem. Commun., 2014,50, 5984-5986

Author version available

Investigation of putative arene-C–H⋯π(quasi-chelate ring) interactions in copper(I) crystal structures

C. I. Yeo, S. N. A. Halim, S. W. Ng, S. L. Tan, J. Zukerman-Schpector, M. A. B. Ferreira and E. R. T. Tiekink, Chem. Commun., 2014, 50, 5984 DOI: 10.1039/C4CC02040E

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