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

作　　者：文丽荣  付维军  李明  赵桂龙  胡方中  杨华铮  

机构地区：[1]College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology, Qingdao 266042, China [2]College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology, Qingdao 266042, China,Institute of Elemento-organic Chemistry, Nankai University, Tianjin 300071, China,State Key Laboratory of Applied Organic Chemistry, Lanzhou University,Lanzhou 730000,China [3]Institute of Elemento-organic Chemistry, Nankai University, Tianjin 300071, China

出　　处：《Chinese Journal of Structural Chemistry》2004年第6期502-506,共5页结构化学（英文）

基　　金：the Natural Science Foundation of Shandong Province (No. Y2003B01) and NNSFC (No. 20172031)

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-crystal X-ray diffraction analysis. The crystal belongs to triclinic, space group P with a = 11.049(4), b = 11.313(4), c = 13.964(5) , ?= 69.085(6), b = 75.962(6), = 62.245(6), V = 1436.7(9) 3, Z = 2, Dc = 1.204 g/cm3, m = 0.079 mm-1, F(000) = 560, R = 0.0790 and wR = 0.1416 for 4729 unique reflections with 2635 observed ones (I > 2(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.

关 键 词：bi-pyrazole crystal structure synthesis 

分 类 号：O626.21[理学—有机化学]