2‐tert‐Butyl‐5‐methyl‐7,8‐dihydro‐6H‐cyclopenta[e]pyrazolo[1,5‐a]pyrimidine: molecular stacks built from C—H...π(pyrazole) hydrogen bonds and π–π stacking interactions |
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Authors: | Jaime Portilla Jairo Quiroga Justo Cobo Christopher Glidewell |
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Abstract: | In the title compound, C14H19N3, the bond distances within the heterocyclic portion of the molecule indicate incomplete π delocalization. The molecules are linked into stacks by a combination of two C—H...π(pyrazole) hydrogen bonds and two independent π–π 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. |
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