反-环己二醇二(吡咯-2-)羧酸酯的合成与晶体结构

摘要

A new pyrrole-based compound trans-1,2-cyclohexyl 1-H-pyrrole-2-carboxylate has been synthesized and characterized.It crystallizes in monoclinic,space group C2/c with a =1.8327(18)nm,b=0.855 3(9)nm,c=1.0122(10)nm,α=γ=90°, β=106.037(12) °,V=1.525(3)nm3 and Z=4.In this structure,the title compound has the C2 symmetry and the cyclohexane group adopts the chair conformation.The adjacent molecules are linked via paired N-H…O H-bonds to form pillared motifs,which are further assembled into a layered array via C-H…π interactions.The existence of N-H…O hydrogen bonds has also been confirmed by IR spectrum%合成了反式环己二醇二(吡咯-2-)羧酸酯,利用x-射线单晶衍射技术在室温下测定了该化合物的晶体结构.结果表明,标题化合物处于单斜晶系,G2/c空间群,晶胞参数为:a=1.832 7(18) nm,b=0.855 3(9)nm,c=1.012 2(10)nm,a=γ=90°,β=106.037(12)°,V=1.525(3)nm3:Z=4.在晶体结构中,环己炕部分采用了椅式构像,同时标题化合物是C2对称的;整个分子通过N-H…O氢键形成一维柱状结构,在C--H…π弱相互作用的帮助下进一步形成二维层状结构;化合物的红外光谱也进一步表明分子问存在N-H…O氢键相互作用.