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Vol. 25 No. 9 (2013): Vol 25 Issue 9

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Synthesis and Crystal Structure of trans-2-(2,4,6-Trimethylphenyl)-1-Nitroethylene

https://doi.org/10.14233/ajchem.2013.14513
Pei-Hua Zhao
Research Center for Engineering Technology of Polymeric Composites of Shanxi Province, College of Materials Science and Engineering, North University of China, Taiyuan 030051, P.R. China
Mei Zhang
Research Center for Engineering Technology of Polymeric Composites of Shanxi Province, College of Materials Science and Engineering, North University of China, Taiyuan 030051, P.R. China
Gui-Zhe Zhao
Research Center for Engineering Technology of Polymeric Composites of Shanxi Province, College of Materials Science and Engineering, North University of China, Taiyuan 030051, P.R. China

Corresponding Author(s) : Pei-Hua Zhao

zph2004@yahoo.com.cn

Asian Journal of Chemistry, Vol. 25 No. 9 (2013): Vol 25 Issue 9

Abstract

A nitroalkene compound, trans-2-(2,4,6-trimethylphenyl)-1-nitroethylene [C11H13NO2 (I)] has been synthesized and structurally characterized by elemental analysis, 1H (13C) NMR spectra and single-crystal X-ray diffraction. Compound (I) crystallizes in the triclinic, space group P-1 with a = 9.700(5), b = 13.784(7), c = 15.306(8) Å, a = 80.976(15), b = 84.85(2), g = 86.523(19)º, V = 2010.8(18) Å3, Z = 4, C22H26N2O4, Mr = 382.45, Dc = 1.263 g/cm3, F(000) = 816, μ (MoKa) = 0.087 mm-1, the final R1 = 0.0714 and wR2 = 0.1685 for 4737 observed reflections [I > 2s(I)]. In addition, X-ray analysis reveals that both the C-H···O short contacts and the p-p stacking interactions are observed in the crystal structure. The two kinds of intermolecular interactions extend the molecules into an infinite three-dimensional network.

Keywords

Nitroalkene Synthesis Crystal structure Intermolecular interaction
Zhao, P.-H., Zhang, M., & Zhao, G.-Z. (2013). Synthesis and Crystal Structure of trans-2-(2,4,6-Trimethylphenyl)-1-Nitroethylene. Asian Journal of Chemistry, 25(9), 5068–5070. https://doi.org/10.14233/ajchem.2013.14513
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