Investigation of intermolecular interactions in the crystal structure of 1-phenyl-1,2-ethanediol

Document Type : Original Article

Authors

1 Imam Khomeini International University

2 University of Zanjan

3 Nicolaus Copernicus University in Torun

Abstract

1-Phenyl-1,2-ethanediol was synthesized from the hydrolysis of epoxy styrene in water medium. The compound was characterized by FT-IR and NMR spectroscopic methods and structure was characterized by single crystal X-ray diffraction method. The crystallographic information was collected at 293 K. This compound is crystallized in the triclinic  space group with unit cell parameters of a = 6.0274(10) Å, b = 16.204(2) Å, c = 17.345(2) Å; α = 117.584(14)°, β = 99.322(13)°, γ = 90.047 (14)°, V = 1476.1 (4) Å3 and Z = 8. The asymmetric unit of the crystal structure consists of four molecules of 1-phenyl-1,2-ethanediol which are connected to each other by strong hydrogen bond and C-H∙∙∙π interactions. A supramolecular network is generated by intermolecular O-H∙∙∙O and C-H∙∙∙O hydrogen bond interactions.

Keywords

References

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Iranian Journal of Crystallography and Mineralogy
Volume 27, Issue 4 - Serial Number 76
December 2019
Pages 959-966

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History

  • Receive Date: 17 February 2019
  • Revise Date: 05 April 2019
  • Accept Date: 06 May 2019

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