Crystal Structure of 2-butylamino-3-(4-fluorophenyl) benzofuro[3,2-d]pyrimidin-4(3H)-one
YA.-G. Hu1, X.-B. Chen1, H.-T. Gao1, M.-W. Ding2
1 Institute of Medicinal Chemistry, Hubei University of Medicine
2 Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, Central China Normal University
huyangg111@yahoo.com.cn
Keywords: crystal structure, benzo[4, 5]furo[3, 2-d]pyrimidin-4(3H)-one, aza-Wittig reaction
Pages: 649-652
Abstract
The title compound (C20H18FN3O2, Mr = 351.37) is prepared and its crystal structure is determined by single crystal X-ray diffraction. The crystal is tetragonal, the P-42(1)c space group with a = 11.0922(6), b = 11.0922(6), c = 28.6271(15) Å, V = 3522.2(3) Å3, Z = 8, dx =
= 1.325 g/cm3, F(000) = 1472, μ = 0.095 mm-1, MoKα radiation (λ = 0.71073), R = 0.0505, wR = 0.1090 for 2433 observed reflections with I > 2σ(I). The X-ray diffraction analysis reveals that all ring atoms in the benzo[4,5]furo[3,2-d]pyrimidinone moieties are almost coplanar.
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