【摘 要】
：
The crystal structure of 1-(1'-t-butyl-5'-methyl-4'-pyrazolylcarbonyl)-3,5-dimeth
yl-1H-yl-pyrazole ([C14H20N4O]2, Mr = 520.68) has been determined by single-cr
【机 构】
：
College of Chemistry and Molecular Engineering,Institute of Elemento-organic Chemistry,State Key Lab
论文部分内容阅读
The crystal structure of 1-(1'-t-butyl-5'-methyl-4'-pyrazolylcarbonyl)-3,5-dimeth
yl-1H-yl-pyrazole ([C14H20N4O]2, Mr = 520.68) has been determined by single-crystal X-ray
diffraction analysis. The crystal belongs to triclinic, space group P1 with a = 11.049(4), b =
11.313(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,
Dc= 1.204 g/cm3,t = 0.079 mm-1, F(000) = 560, R = 0.0790 and wR = 0.1416 for 4729 unique
reflections with 2635 observed ones (I ＞ 2σ(I)). The results indicate that the pyrazole rings display
aromaticity. The four pyrazole moieties are approximately coplanar in each case. The dihedral
angles between planes 1 and 2, 3 and 4 are 40.99 and 10.77°, respectively.
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