Crystal structure of ethyl 6-(2-fluoro-phenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate

M. S. Krishnamurthy, Noor Shahina Begum*, William Thomas Alexander Harrison

*Corresponding author for this work

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In the title compound, C14H14F4N2O3S, the central dihydro-pyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluorobenzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluorobenzene ring is positioned axially and bisects the pyrimidine ring with a dihedral angle of 70.92 (8)°. The molecular conformation is stabilized by an intramolecular O - H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features C - H⋯ F, N - H⋯S and N - H⋯O hydrogen bonds, which link the molecules into a three-dimensional network.

Original languageEnglish
Pages (from-to)o268-o269
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number5
DOIs
Publication statusPublished - 1 May 2015

Keywords

  • Crystal structure
  • Dihydropyrimidine derivative
  • Hydrogen bonding
  • Organofluorine compounds

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