Literature DB >> 18758012

2-tert-Butyl-5-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine: molecular stacks built from C-H...pi(pyrazole) hydrogen bonds and pi-pi stacking interactions.

Jaime Portilla1, Jairo Quiroga, Justo Cobo, Christopher Glidewell.   

Abstract

In the title compound, C(14)H(19)N(3), 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...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.

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Year:  2008        PMID: 18758012     DOI: 10.1107/S010827010802266X

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  1 in total

1.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  1 in total

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