The effect of Cl⋯π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2- (pentafluorophenoxy)ethoxy]phthalonitrile

Akiko Hori, Yuta Inoue, Hidetaka Yuge

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Abstract

4-Chloro-5-(2-phen-oxy-eth-oxy)phthalonitrile, C16H 11ClN2O2, (I), and 4-chloro-5-[2-(penta-fluoro- phen-oxy)eth-oxy]phthalo-nitrile, C16H6ClF5N 2O2, (II), show different types of electrostatic inter-action. In (I), the phen-oxy and phthalonitrile (benzene-1,2- dicarbonitrile) moieties are well separated in an open conformation and inter-molecular C - H⋯π inter-actions are observed in the crystal packing. On the other hand, in (II), the penta-fluoro-phen-oxy moiety inter-acts closely with the Cl atom to form a folded conformation containing an intra-molecular halogen-π inter-action.

Original languageEnglish
Pages (from-to)o154-o156
JournalActa Crystallographica Section C: Crystal Structure Communications
Volume67
Issue number5
DOIs
Publication statusPublished - 2011 May 1

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ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

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