4-Amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine: hydrogen-bonded dimers linked into pi-stacked chains

Acta Crystallogr C. 2002 May;58(Pt 5):o284-6. doi: 10.1107/s0108270102005735. Epub 2002 Apr 30.

Abstract

The title compound, C(12)H(12)N(4)O(2)S, crystallizes with Z' = 2 in space group P2(1)/c. The intramolecular dimensions are consistent with a highly polarized electronic structure. Each of the independent molecules forms a centrosymmetric dimer linked by paired N-H.N hydrogen bonds, and these dimers are linked into a single type of chain by aromatic pi-pi-stacking interactions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • DNA Repair
  • Dimerization
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / chemistry
  • Humans
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Conformation
  • Nitroso Compounds / chemical synthesis
  • Nitroso Compounds / chemistry*
  • O(6)-Methylguanine-DNA Methyltransferase / antagonists & inhibitors*
  • Pyrimidines / chemical synthesis
  • Pyrimidines / chemistry*

Substances

  • 4-amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine
  • Enzyme Inhibitors
  • Nitroso Compounds
  • Pyrimidines
  • O(6)-Methylguanine-DNA Methyltransferase