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

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

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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.

作者文丽荣付维军李明赵桂龙胡方中杨华铮

机构地区 College of Chemistry and Molecular Engineering College of Chemistry and Molecular Engineering Institute of Elemento-organic Chemistry

出处《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 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)

关键词 bi-pyrazole crystal structure synthesis 合成晶体结构 1-(1′-t-丁基-5′-甲基-4-吡唑基-羰基)-3,5-二甲基-1H-吡唑 [C14H20N4O]2

分类号 O626.21 [理学—有机化学]

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Chinese Journal of Structural Chemistry

2004年第6期

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

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