Synthesis and Crystal structure of Benzofuro[3,2-d]pyrimidine Derivative

Abstract

The single crystal of N⁸,N⁸-dibenzyl-N⁴-(3-bromophenyl)benzofuro[3,2-d]pyrimidine-4,8-diamine was obtained by recrystallization from pure ethanol solution. The structure was confirmed by ¹H NMR, ¹³C NMR and single crystal X-ray diffraction analysis. The cell unit parameters that crystallized in the triclinic system, space group P-1 including a = 9.5792 (10) Å, b = 10.3148 (10) Å, c = 17.11324 (17) Å, a = 104.102 (4)º, b = 106.038 (4)º, g = 95.381 (4)º. V = 1554.2 (3) ų, Z = 2, M_r = 627.56, D_c = 1.341 g/cm³, F₍₀₀₀₎ = 652, R = 0.0602, wR = 0.2031 for 5442 reflections with I > 2s(I). The crystal of the compound was stabilized a 2D supramolecular layer structure through the interactions between the hydrogen bonds and the C-H···p.