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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Investigation of putative arene-C-H center dot center dot center dot pi(quasi-chelate ring) interactions in copper(I) crystal structures

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Author(s):
Yeo, Chien Ing [1] ; Halim, Siti Nadiah Abdul [1] ; Ng, Seik Weng [1] ; Tan, Seng Lim [1] ; Zukerman-Schpector, Julio [2] ; Ferreira, Marco A. B. [2] ; Tiekink, Edward R. T. [1]
Total Authors: 7
Affiliation:
[1] Univ Malaya, Dept Chem, Kuala Lumpur 50603 - Malaysia
[2] Univ Fed Sao Carlos, Dept Quim, Lab Cristalog Estereodinam & Modelagem Mol, BR-13565905 Sao Carlos, SP - Brazil
Total Affiliations: 2
Document type: Journal article
Source: CHEMICAL COMMUNICATIONS; v. 50, n. 45, p. 5984-5986, 2014.
Web of Science Citations: 27
Abstract

Evidence for C-H center dot center dot center dot pi( CuCl center dot center dot center dot HNCS) interactions, i.e. C-H center dot center dot center dot pi(quasichelate ring) where a six-membered quasi-chelate ring is closed by an N-H center dot center dot center dot Cl hydrogen bond, is presented based on crystal structure analyses of (Ph3P)(2)Cu{[}ROC(=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). (AU)

FAPESP's process: 13/02311-3 - New approaches in asymmetric synthesis of tetrahydrofuran and tetrahydropyran-derivatives with potential application in the preparation of bioactive molecules
Grantee:Marco Antonio Barbosa Ferreira
Support Opportunities: Regular Research Grants