You are here: Home :: Area NEM :: Chemistry :: Inorganic chemistry

V. Rybakov, V.V. Chernyshev, V.A. Tafeenko, A. D. Shutalev, A. I. Kurbakov, V.A. Trounov

Synthesis and crystal structure determination of 6-phenyl-5-phenylsulfonyl-1,2,3,4-tetrahydropyrimidine-2-thione from neutron powder diffraction data

The title compound was synthesized by reaction of N-(azidomethyl)thiourea or N-(tosylmethyl)thiourea with α- phenylsulfonylacetophenone in the presence of sodium hydride followed by p-toluenesulfonic acid treat-ment of the obtained N-[3-oxo-3-phenyl-2-(phenylsulfonyl)propyl]thiourea. The molecular and crystal structure of 6-phenyl-5-phenylsulfonyl-1,2,3,4-tetrahydropyrimidine-2-thione (C₁₄H₁₃N₂S₂O₂; space group P2₁/a; Z=4; a=17.396(1) Å, b=5.887(1) Å, c=15.665(2) Å, β=104.89(1)^o) have been determined and refined from neu-tron (the neutron diffraction was very effective for de-scribing of this system due to using of partial hydrogen-deuterium substitution) powder diffraction data using grid search and a Rietveld procedures. The crystal structure is formed by centrosymmetric hydrogen-bonded dimers along a axis.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 216, 12/2001
Pages: 629

Journal homepage (external site)

Show all available items of this journal

 

Area NEM