Wq. Chen et al., Synthesis and crystal structure of 1-phenyl-3-methylthio-4-imino-5-allyl-pyrazolo[3,4-d]pyrimidine, J CHEM CRYS, 29(12), 1999, pp. 1291-1293
The title compound 1-phenyl-3-methylthio-4-imino-5-allyl-pyrazolo[3,4-d]pyr
imidine, C15H15N5S, has been synthesized and characterized by x-ray diffrac
tion: orthorhombic, space group Pbca, with a = 17.3480(9), b = 8.5022(5), c
= 19.8132(11) Angstrom. Z = 8, V = 2922.4(3) Angstrom(3). The compound sho
ws a fully delocalized pyrazolo[3,4-d]pyrimidine system with a sp(2) hybrid
ization of the N(4) atom.