Synthesis and Crystal Structure of 1-(1'-t- Butyl-5'-methyl-4-pyrazolyl-carbonyl)- 3,5-dimethyl-1H-yl-pyrazole

摘要

The crystal structure of 1-(1'-t-butyl-5'-methyl-4'-pyrazolylcarbonyl)-3,5-dimethrnyl-1H-yl-pyrazole ([C14H20N4O]2, Mr = 520.68) has been determined by single-crystal X-ray rndiffraction analysis. The crystal belongs to triclinic, space group P1 with a = 11.049(4), b =rn11.313(4), c = 13.964(5) A, a = 69.085(6), β = 75.962(6), γ = 62.245(6)°, V = 1436.7(9)A3, Z = 2,rnDc= 1.204 g/cm3,t = 0.079 mm-1, F(000) = 560, R = 0.0790 and wR = 0.1416 for 4729 unique rnreflections with 2635 observed ones (I ＞ 2σ(I)). The results indicate that the pyrazole rings display rnaromaticity. The four pyrazole moieties are approximately coplanar in each case. The dihedral rnangles between planes 1 and 2, 3 and 4 are 40.99 and 10.77°, respectively.