Crystal Structure of 5,5'-(Furan-2-ylmethylene)bis(6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione)

Abstract

The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The compound C17H20N6O5, crystallizes in the monoclinic crystal system with space group P21/c having unit-cell parameters: a = 11.3123(8), b = 14.8291(10), c = 10.8777(8) A, β = 102.943(7)°, 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 0.0496 for 2109 observed reflections. The molecules in the crystal are linked into infinite two-dimensional network by C−H⋅⋅⋅O, C−H⋅⋅⋅N, N−H⋅⋅⋅O, N−H⋅⋅⋅N, and C−H⋅⋅⋅π type of hydrogen bonds. Molecules are also reinforced by π⋅⋅⋅π interaction between ring B and ring C, respectively.