Hubbard C R, Mighell A D, Fatiadi Alexander J
National Bureau of Standards, Washington, D.C. 20234.
J Res Natl Bur Stand (1977). 1980 May-Jun;85(3):205-210. doi: 10.6028/jres.085.011.
CHNO, MW = 420, orthorhombic, Pbc2, a = 4.686(2), b = 16.784(8), c = 25.924(10)Å, V = 2039Å, = 1.37 g cm (flotation), d = 1.369g cm, Z = 4. The structure has been determined by direct methods and refined to R = 0.045 based on 1419 independent reflections. No crystallographic symmetry element is present in the dixanthylurea molecule. In fact, the molecule is considerably distorted from any possible mirror symmetry. The molecules are hydrogen bonded in an infinite chain along the -axis. The compound is of interest because of its role in the analytical determination of urea.
CHNO,分子量为420,正交晶系,Pbc2,a = 4.686(2),b = 16.784(8),c = 25.924(10)Å,V = 2039ų,ρ = 1.37 g/cm³(浮选法),d(x) = 1.369 g/cm³,Z = 4。结构通过直接法确定,并基于1419个独立反射精修至R = 0.045。二黄嘌呤脲分子中不存在晶体学对称元素。实际上,该分子与任何可能的镜像对称都有很大偏差。分子沿z轴通过氢键连接成无限链。该化合物因其在尿素分析测定中的作用而受到关注。