Affiliations 

  • 1 Departmento de Física, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil
  • 2 Departamento de Farmácia, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, 05508-900 São Paulo-SP, Brazil
  • 3 Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Acta Crystallogr E Crystallogr Commun, 2015 Feb 1;71(Pt 2):o90-1.
PMID: 25878887 DOI: 10.1107/S2056989014027790

Abstract

The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H⋯O hydrogen bonds, and these are connected into double layers via weak C-H⋯π inter-actions; these stack along the a axis.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.