화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.592, No.1, 199-208, 2014
Synthesis, Crystal Structure, and Characterization of 2-Phenyl-N-(pyrazin-2-yl)Acetamide
The title compound, 2-Phenyl-N-(pyrazin-2-yl)acetamide, C12H11N3O, was prepared by the coupling reaction and the product was crystallized by using toluene and methanol mixture(1:1) The structure of the compound was confirmed by elemental analysis, FTIR, H-1 NMR, thermogravimetric analysis, differential thermal analysis, UV-Visible spectroscopy, and single-crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 2(1)/c with the following unit-cell parameters: a = 8.1614(10), b = 14.9430(13), c = 9.3877(9) angstrom, beta = 103.653(12)degrees, and Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0465 for 1486 observed reflections. An intramolecular CH center dot center dot center dot O hydrogen bond generates an S(6) graph-set motif. In the crystal, molecules are linked by NH center dot center dot center dot O and CH center dot center dot center dot O hydrogen bonds, forming a two-dimensional network.