C. Frizzo, Elisandra Scapin, P. T. Campos
Sep 17, 2009
Citations
1
Influential Citations
16
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The structure of 7-trichloromethyl-2-methylpyrazolo[1,5- a ]pyrimidine ( 1 ) and 3-bromo-2-methyl-7-(thien-2-yl)pyrazolo[1,5- a ]pyrimidine ( 2 ) was determined by X-ray diffractometry. The crystal packing for compounds 1 and 2 was discussed in terms of inter- and intramolecular interactions. Compound 1 showed the intramolecular interaction of pyrazole nitrogen and trichloromethyl chlorine (N⋯Cl), the intermolecular interactions of pyrimidine nitrogen and chlorine (N⋯Cl) and π–π interaction between pyrazole ring-centroid. Compound 2 showed the intramolecular interaction of nitrogen of pyrazole and thienyl sulfur (N⋯S), the intermolecular interactions of nitrogen of pyrimidine and thienyl sulfur (N⋯S) and π–π interaction between pyrimidine and pyrazole ring-centroid. Selected crystallographic data are compared with corresponding semi-empirical AM1 data.