关键词: 包结反应, Ｘ射线衍射分析, 细辛, 苊二醇

Two new clathrate hosts characteristic of a chela-shaped molecular back bone, trans-1,2-biphenyl-1,2-acenaphthenodiol 1 and cis-1,2-bi- 1'-naphthyl-1,2-acenaphthenediol 2 were designed. 1 and 2 can form coordinatoclanthrate with various small organic compounds and these inclusion compounds were confirmed by means of IR and powder XRD. The host-go\uest molar ratios were determined by ^1H NMR and the following results were found: (1)·DMF(1 : 2), (1)·DMSO(1 : 2), (1) ·THF(1 : 2), (1)·1,4-dioxane(1 : 1), 1·pyridine(1 : 1), (2)·DMF(1 : 1) and (2)·DMSO(1 : 1). The single crystal structures of new inclusion compounds were determined by X-ray diffraction analysis. The crystal of host(1)·DMF belongs to space group Pnaa, a=0.9377(1) nm, b=1.4351(1) nm, c=4.0463(3) nm and 1·DMSO has space group Pbcn, a=1.6278(1) nm, b=1.0751(1) nm, c=1.4980(1) nm and host(2)·DMF belongs to P2~1/n，a=0.9796(1) nm, b=1.2377(1) nm, c=2.2344(3) nm, β =93.02(1)°. The crystal analysis of freehost (1) showed space group P1, and a=1.0461(1) nm, b=1.1213(1) nm, c=1.5496(1) nm, α=81.74(1)°, β=75.71(1)°, γ=89.00(1)°. The effect of rigidity and flexibility of host molecules on inclusion properties were discussed. The selective isolation of the effective component (1,2-dimethoxy-4-2'- propenylbenzene) from the volatile oil of Chinese herb Xixin by host(1) was carried out.

Key words: INCLUSION COMPLEXATIONS, X-RAY DIFFRACTION ANALYSIS, ASARUM