Shortening CN⋯Br–Csp3 halogen bonds via π-stacking-Reference-Cited by-同舟云学术

Shortening CN⋯Br–C_sp³ halogen bonds via π-stacking

Published:2024 Issue:16 Volume:26 Page:2131-2135
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Kupietz Kamil¹^ORCID,Gomila Rosa M.²^ORCID,Roisnel Thierry¹^ORCID,Frontera Antonio²^ORCID,Gramage-Doria Rafael¹^ORCID

Affiliation:

1. Univ. Rennes, CNRS, ISCR – UMR6226, F-35000 Rennes, France

2. Departament de Quimica, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain

Abstract

An extremely short N⋯Br distance between a nitrile group and a Csp3-linked bromine atom was encountered in the solid-state and rationalized by DFT calculations, which emphasized the role of π-stacking for bringing both partners at close proximity.

Funder

Centre National de la Recherche Scientifique

Université de Rennes 1

Agencia Estatal de Investigación

Horizon 2020

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CE/D4CE00307A

Reference61 articles.

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