The structure and conformation of 5,5'-bis(4-methylphenyl)-2,2'-bioxazole

Chin. J. Org. Chem. ›› 1992, Vol. 12 ›› Issue (5): 513-517. Previous Articles Next Articles

Original Articles

5,5'-双(4-甲基苯)-2,2-联恶唑的晶体结构及构象

薛价猷;张文勤;李会杰;王明真;高振衡;律祥俊;王宏根;姚心侃;林少凡

南开大学化学系;南开大学中心实验室

发布日期:1992-10-25

The structure and conformation of 5,5'-bis(4-methylphenyl)-2,2'-bioxazole

XUE JIEYOU;ZHANG WENQIN;LI HUIJIE;WANG MINGZHEN;GAO ZHENHENG;LU XIANGJUN;WANG HONGGEN;YAO XINKAN;LIN SHAOFAN

Published:1992-10-25

Abstract

The crystal structure and conformation of 5,5'-bis(4-methylphenyl)-2,2'-bioxazole (I) has been determine by x-ray crystallog. method. The calcns. of mol. mechanics force field (MMX program) provide the structure and conformation of I in good agreement with x-ray determination Two oxazole rings are arranged in the stable anti conformation with the dihedral angle of 0.03?and the rotation energy barrier is ca. 2.5 ?104 J/mol.

Key words: METHYLBENZENE P, CRYSTAL STRUCTURE DETERMINATION, MOLECULAR MECHANICS

CLC Number:

O621

Cite this article

XUE JIEYOU;ZHANG WENQIN;LI HUIJIE;WANG MINGZHEN;GAO ZHENHENG;LU XIANGJUN;WANG HONGGEN;YAO XINKAN;LIN SHAOFAN. The structure and conformation of 5,5'-bis(4-methylphenyl)-2,2'-bioxazole[J]. Chin. J. Org. Chem., 1992, 12(5): 513-517.

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5,5'-双(4-甲基苯)-2,2-联恶唑的晶体结构及构象

The structure and conformation of 5,5'-bis(4-methylphenyl)-2,2'-bioxazole

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