1190956-83-2Relevant academic research and scientific papers
Four N 7-alkoxy-benzyl-substituted 4,5,6,7-tetra-hydro-1H- pyrazolo[3,4-b]pyridine-5-spiro-1′-cyclo-hexane-2′,6′-diones: Hydrogen-bonded supra-molecular structures in zero, one, two or three dimensions
Trilleras, Jorge,Quiroga, Jairo,Cobo, Justo,Low, John N.,Glidewell, Christopher
, p. o665-o670 (2008)
3-tert-Butyl-7-(4-methoxy-benz-yl)-4′,4′-dimethyl-1-phenyl-4,5, 6,7-tetra-hydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1′-cyclohex-ane- 2′,6′-dione, C31H37N3O3, (I), 3-tert-butyl-7-(2,3-dimethoxy-benz-yl)-4′,4′-dimethyl-1- phenyl-4,5,6,7-tetra-hydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1′-cyclo- hexane-2′,6′-dione, C32H39N3O 4, (II), 3-tert-butyl-4′,4′-dimethyl-7-(3,4-methyl-ene- dioxy-benz-yl)-1-phenyl-4,5,6,7-tetra-hydro-1H-pyrazolo[3,4-b] pyridine-5-spiro-1′-cyclo-hexane-2′,6′-dione, C 31H35N3O4, (III), and 3-tert-butyl-4′,4′-dimethyl-1-phenyl-7-(3,4,5-trimethoxy-benz-yl)-4, 5,6,7-tetra-hydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1′-cyclo-hexane- 2′,6′-dione ethanol 0.67-solvate, C33H41N 3O5·0.67C2H6O, (IV), all contain reduced pyridine rings having half-chair conformations. The mol-ecules of (I) and (II) are linked into centrosymmetric dimers and simple chains, respectively, by C - H...O hydrogen bonds, augmented only in (I) by a C - H...π hydrogen bond. The mol-ecules of (III) are linked by a combination of C - H...O and C - H...π hydrogen bonds into a chain of edge-fused centrosymmetric rings, further linked by weak hydrogen bonds into supra-molecular arrays in two or three dimensions. The heterocyclic mol-ecules in (IV) are linked by two independent C - H...O hydrogen bonds into sheets, from which the partial-occupancy ethanol mol-ecules are pendent. The significance of this study lies in its finding of a very wide range of supra-molecular aggregation modes dependent on rather modest changes in the peripheral substituents remote from the main hydrogen-bond acceptor sites.
