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 WEN Li-Rong;FU Wei-jun;LI Ming;ZHAO Gui-Long;HU Fang-Zhong;YANG Hua-Zheng

作者机构：College of Chemistry and Molecular EngineeringQingdao University of Science and Technology Qingdao 266042 China College of Chemistry and Molecular EngineeringQingdao University of Science and Technology Qingdao 266042 ChinaInstitute of Elemento-organic Chemistry Nankai University Tianjin 300071 ChinaState Key Laboratory of Applied Organic Chemistry Lanzhou UniversityLanzhou 730000China Institute of Elemento-organic Chemistry Nankai University Tianjin 300071 China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2004年第23卷第6期

页      面：502-506页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

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

主　　题：bi-pyrazole crystal structure synthesis 

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.