Synthesis and Crystal Structure of N,N~'-Bis-m-tolyl-3,6-dimethy1-1, 4-dihydro-s-tetrazine-1,4-dicarbonamide

Chin. J. Org. Chem. ›› 2003, Vol. 23 ›› Issue (5): 483-487. Previous Articles Next Articles

N，N’-双间甲苯基-3，6-二甲基-1，4-二氢-s-四嗪-1，4-二甲酰胺的合成和晶体结构

孙雅泉;胡惟孝;袁庆

浙江工业大学药学院

发布日期:2003-05-25

Synthesis and Crystal Structure of N,N~'-Bis-m-tolyl-3,6-dimethy1-1, 4-dihydro-s-tetrazine-1,4-dicarbonamide

Sun Yaquan;Hu Weixiao;Yuan Qing

Institute of Pharmaceutical Engineering,Zhejiang University of Technology

Published:2003-05-25

Abstract

The title compiund,N,N~'-bis-m-tolyl-3,6-dimethyl-1,4-dihydro-s- tetrazine-1,4-dicarbonamide(C_20H_22,N_6O_2,M_r=378.44)has been prepared and structurally characterized,The crystal belongs to the orthorhombic system,space group P2_12_12_1with parameters:a=1.1602(2) nm,b+1.5921(3)nm,c+1.3918(3)nm,V=1.9874(10)nm~3,z=4,D_c=1.265g/cm~3μ (MoKa)=.0.086mm~(-1)F(000)=800,R and wR are 0.0619 and 0.1495, respectively,for 2611 observed unique reflections, The molecular structure shows that two amide groups locate at 1 and 4 positions, and that the tetrazine ring takes a boat conformation and does not possess homoaromaticity

Key words: ISOCYANATE P;TETRAZINE P;FORMAMIDE P;CRYSTAL STRUCTURE;HYDROGEN BONDS, XRD

CLC Number:

O621

Cite this article

Sun Yaquan;Hu Weixiao;Yuan Qing. Synthesis and Crystal Structure of N,N~'-Bis-m-tolyl-3,6-dimethy1-1, 4-dihydro-s-tetrazine-1,4-dicarbonamide[J]. Chin. J. Org. Chem., 2003, 23(5): 483-487.

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N，N’-双间甲苯基-3，6-二甲基-1，4-二氢-s-四嗪-1，4-二甲酰胺的合成和晶体结构

Synthesis and Crystal Structure of N,N~'-Bis-m-tolyl-3,6-dimethy1-1, 4-dihydro-s-tetrazine-1,4-dicarbonamide

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