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Crystal structure of 3-[2-(thio-phen-3-yl)ethyn-yl]-2H-chromen-2-one

Caracelli I 1 , Maganhi SH 1 , Stefani HA 2 , Gueogjian K 2 , Tiekink ER 3

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 Mar 01;71(Pt 3):o154-5.
PMID: 25844223 DOI: 10.1107/S2056989015002157

Abstract

In the title compound, C15H8O2S, the coumarin moiety is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.025 Å) and is slightly inclined with respect to the plane of the thio-phen-3-yl ring, forming a dihedral angle of 11.75 (8)°. In the crystal, the three-dimensional architecture features a combination of coumarin-thio-phene C-H⋯π and π-π [inter-centroid distance = 3.6612 (12) Å] inter-actions.

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

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