Synthesis and crystal structure determination of 6-phenyl-5-phenylsulfonyl-1,2,3,4-tetrahydropyrimidine-2-thione from neutron powder diffraction data
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V. Rybakov
Abstract
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 treatment 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 neutron (the neutron diffraction was very effective for describing 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.
© 2001 Oldenbourg Wissenschaftsverlag GmbH
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- Synthesis and crystal structure determination of 6-phenyl-5-phenylsulfonyl-1,2,3,4-tetrahydropyrimidine-2-thione from neutron powder diffraction data
- A contribution to the crystal chemistry of DL-malates
- Absorption correction for crystal-environment attachments from direction cosines
- Book Review
Articles in the same Issue
- Thermal expansion of decagonal Al70.7Co13.3Ni16.0 in the temperature range 15–300 K
- The intermediate phase of strontium chromate aluminate sodalite
- Crystal structure and elastic properties of betaine fumarate and of betaine maleate, two isomers of ((CH3)3NCH2COOH . OOC(CH)2COOH
- Synthesis, electronic and crystal structure of a new organic semiconductor tetramethyltetrathiafulvalene-trinitroresorcinol (2:1), (TMTTF)2(C6H2N3O8)
- Synthesis and crystal structure determination of 6-phenyl-5-phenylsulfonyl-1,2,3,4-tetrahydropyrimidine-2-thione from neutron powder diffraction data
- A contribution to the crystal chemistry of DL-malates
- Absorption correction for crystal-environment attachments from direction cosines
- Book Review
