TY - JOUR
T1 - 2-tert-butyl-5-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine: molecular stacks built from C-H center dot center dot center dot pi(pyrazole) hydrogen bonds and pi-pi stacking interactions
AU - Portilla, Jaime
AU - Quiroga, Jairo
AU - Cobo, Justo
AU - Glidewell, Christopher
PY - 2008/9
Y1 - 2008/9
N2 - In the title compound, C14H19N3, the bond distances within the heterocyclic portion of the molecule indicate incomplete pi delocalization. The molecules are linked into stacks by a combination of two C-H center dot center dot center dot pi(pyrazole) hydrogen bonds and two independent pi-pi stacking interactions between inversion-related pyrimidine rings. The significance of this study lies in its observation of significant differences in both molecular conformation and supramolecular aggregation between the title compound, an example of a 2-alkylpyrazolo[1,5-a] pyrimidine, and some analogous 2-arylpyrazolo[1,5-a] pyrimidines.
AB - In the title compound, C14H19N3, the bond distances within the heterocyclic portion of the molecule indicate incomplete pi delocalization. The molecules are linked into stacks by a combination of two C-H center dot center dot center dot pi(pyrazole) hydrogen bonds and two independent pi-pi stacking interactions between inversion-related pyrimidine rings. The significance of this study lies in its observation of significant differences in both molecular conformation and supramolecular aggregation between the title compound, an example of a 2-alkylpyrazolo[1,5-a] pyrimidine, and some analogous 2-arylpyrazolo[1,5-a] pyrimidines.
U2 - 10.1107/S010827010802266X
DO - 10.1107/S010827010802266X
M3 - Article
SN - 1600-5759
VL - 64
JO - Acta Crystallographica Section C-Crystal Structure Communications
JF - Acta Crystallographica Section C-Crystal Structure Communications
ER -