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Bikas R, Emami M, Kozakiewicz A. Investigation of intermolecular interactions in the crystal structure of 1-phenyl-1,2-ethanediol. www.ijcm.ir 2019; 27 (4) :959-966
URL: http://ijcm.ir/article-1-1374-en.html
URL: http://ijcm.ir/article-1-1374-en.html
1- Imam Khomeini International University
2- University of Zanjan
3- Nicolaus Copernicus University in Torun
2- University of Zanjan
3- Nicolaus Copernicus University in Torun
Abstract: (2241 Views)
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.
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.
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