关键词: 柏木醇, 邻甲苯酚, 层状包结物, 晶体结构

Abstract: The analysis of crystal structure of inclusion compound of cedrol and o-cresol shows it belongs to monoclinic system with a space group P2₁, a=0.5598(1) nm, b=1.8882(1) nm, c=0.8983(3) nm, β=104.78(1)°, V=0.98297(36) nm³, Z=2 and R=0.0662.It has been found that the inclusion compound is composed of cedrol and o-cresol with a molar ratio of 1:1.In the crystalline, the molecules of o-cresol pack in the layers were formed by the cedrol molecules in a good order, and form intercalate inclusion compound.The O(1)-- O(2) value between the hydroxyls of cedrol and o-cresol is 0.2705(11) nm.While crystal data of cedrol are as follows, orthorhombic, space group P22₁2₁, a=1.1282(4) nm, 6=1.5656(3) nm, c=1.5927(4) nm, V=2.61362 (136) nm³, Z=8 and R=0.0852.The O(1)--O(2) value between the hydroxyls of cedrol is 0.2795(19) nm.The hydrogen bonding of intercalate inclusion compound in crystalline is 0.0090 nm shorter than that of cedrol, it shows that hydrogen bonding seems to be important in the formation of stable intercalate inclusion compound.

Key words: Cedrol, ο-Cresol, Intercalate, Crystal structure