Synthesis and structure of tetraphenylantimony 2-[(6-aminopyrimidine-4(3h)-one-2-yl)sulfonyl]acetate hydrate

Tetraphenylantimony 2-[(6-Aminopyrimidine-4(3 H )-one-2-yl)sulfonyl]acetate, obtained due to substitution of the hydrogen atom by the Ph4Sb-fragment in the carboxylic group, is a product of the reaction between pentaphenylantimony and 2-[(6-aminopyrimidine-4(3 H )-one-2-yl)sulfonyl]acetic acid. The compound has been isolated in the form of a hydrate with 78 % yield and represents colourless crystals with the melting point 197 °С. The compound has been characterized by IR-spectroscopy and X-ray analysis. The absorption bonds of the carbonyl groups in the cycle and acid fragment are present in the IR-spectra at the frequency 1629 and 1603 сm-1, respectively. According to the X-ray analysis, carried out on a D8 QUEST Bruker diffractometer, the compound unit cells parameters are: triclinic syngony, P 1 group of symmetry; а = 9.551(3), b =13.469(3), c = 14.484(5) Å, α = 86.355(11)°, β = 74.421(18)°, γ = 76.483(10)°, V = 1745.0(9) Å3, ρcalc = 1.234 g/cm3. The antimony atom has a distorted trigonal bipyramidal coordination. The OSbC axial angle equals 179.42(10)°, the sum of angles in the equatorial plane equals 357.0(13)°. The Sb-C axial bond and equatorial bonds equal 2.175(3) Å and 2.107(3)-2.139(3) Å, respectively. The Sb-O bond length equals 2.253(2) Å. The single and double bond are not aligned (1.283(3) и 1.226(4) Å, respectively). The pyrimidine cycle is practically planar, the nitrogen and carbon atoms deviate from the middle plane by no more than 0.012 Å; the sulfur atom deviates from the middle plane by 0.106 Å.