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,C2/c空间群,晶胞参数为:α=1.8327(18)nm,b=0.8553(9)nm,c=1.0122(10)nm,a=γ=90°,β=106.037(12)°,V=1.525(3)nm^3,Z=4。在晶体结构中,环己烷部分采用了椅式构像,同时标题化舍物是G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间存在N-H…0氢键相互作用。
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. 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) nm^3 and 2=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 v/a C--H…π interactions. The existence of N--H…O hydrogen bonds has also been confirmed by IR spectrum.