Crystal structure of 4-(prop-2-yn-1-yl-oxy)benzonitrile

Mayu Kanagawa, Tsunehisa Okuno*, William Thomas Alexander Harrison

*Corresponding author for this work

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In the title compound, C10H7NO, the dihedral angle between the aromatic ring and the prop-2-yn-1-yloxy grouping is 9.47 (10)°. The bond lengths indicate electronic conjugation between the cyano group, the benzene ring and the propyn-yloxy oxygen atom. In the crystal, a hydrogen bond between the acetylenic C - H atom and the cyano nitrogen atom link the molecules into wave-like [301¯] C(11) chains. These chains are connected by Csp2 - H⋯πacac is the acetylinic C - C triple bond) close contacts [2.794 (1) Å], resulting in a rolling sheet structure parallel to the ac plane and aromatic π-π stacking interactions between the sheets [centroid-centroid distance = 3.593 (2) Å] generate a three-dimensional network.

Original languageEnglish
Pages (from-to)o97-o98
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number2
DOIs
Publication statusPublished - 1 Feb 2015

Keywords

  • C - H⋯n interactions
  • Crystal structure
  • Hydrogen bonding
  • Prop-2-yn-1-yloxy
  • π-πstacking interactions

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

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