4-Amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine: hydrogen-bonded dimers linked into pi-stacked chains.
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.
Low
John N
JN
Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen AB24 3UE, Scotland.
Quesada
Antonio
A
Marchal
Antonio
A
Nogueras
Manuel
M
Sánchez
Adolfo
A
Glidewell
Christopher
C
D018360:Crystallography, X-Ray; D004260:DNA Repair; D019281:Dimerization; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry; D006801:Humans; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D009603:Nitroso Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D019853:O(6)-Methylguanine-DNA Methyltransferase / Q000037:antagonists & inhibitors*; D011743:Pyrimidines / Q000138:chemical synthesis / Q000737:chemistry*
C460386:4-amino-6-benzyloxy-2-(methylsulfanyl)-5-nitrosopyrimidine; D004791:Enzyme Inhibitors; D009603:Nitroso Compounds; D011743:Pyrimidines; D019853:O(6)-Methylguanine-DNA Methyltransferase