ABSTRACT
In the mol-ecule of the title compound, C(14)H(8)Cl(2)N(4)S, all the ring atoms in the pyrazolopyrimidine system are almost coplanar, the largest deviation from the mean plane being 0.027â (2)â Å for a C atom. The conformation of the methyl-sulfanyl group is anti-periplanar, with a torsion angle of -176.7â (2)°. A weak inter-molecular C-Hâ¯N hydrogen bond and a Clâ¯N halogen bond [Clâ¯N = 3.196â (5)â Å] with a nearly linear Nâ¯Cl-C angle [174.2â (1)°] link the mol-ecules into a two-dimensional assembly. Face-to-face π-π stacking, with a centroid-centroid separation of 3.557â (2)â Å and an angle of 7.1â (1)° between the two planes, completes the inter-molecular inter-actions in the solid state.
ABSTRACT
The title compound, C(30)H(25)Cl(2)NO(3), was prepared by the reaction of 3-oxo-N,3-diphenyl-propane-thio-amide, 2,5-dichloro-benzaldehyde and 5,5-dimethyl-1,3-cyclo-hexa-nedione (1:1:1) in ethanol. The cyclohexene ring adopts a half-chair conformation. The crystal structure exhibits intra-molecular N-Hâ¯O and C-Hâ¯O, and inter-molecular C-Hâ¯O inter-actions.
ABSTRACT
In the crystal structure of the title compound, C(24)H(14)Cl(3)NO(2)S, the tetra-hydro-pyridine ring adopts a half-chair conformation and both pendant benzene rings are oriented nearly perpendicular to the thio-chromeno[2,3-b]pyridine system.