Li Zhengyi, Yuan Dinghao, Xi Haitao, Sun Xiaoqiang
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1697. doi: 10.1107/S160053680902217X.
The title compound, C(60)H(88)O(4)·4CHCl(3)·2H(2)O, is the alkyl-ated product of 5,11,17,23-tetra-tert-butyl-calix[4]arene. It adopts a distorted cone conformation which leads to an open cavity. All the phenolic rings are tilted so that their tert-butyl groups are pitched away from the calix cavity. Two opposite aromatic rings are close to being perpendicular to one another [dihedral angle 85.0 (2)°], while the other pair of opposite rings is almost parallel [dihedral angle 8.1 (2)°], and adjacent phenolic rings are almost perpendicular [dihedral angles 82.4 (1) or 87.9 (1)°]. In the crystal, the water molecule and calixarene interact by way of O-H⋯O hydrogen bonds.
标题化合物C(60)H(88)O(4)·4CHCl(3)·2H(2)O是5,11,17,23-四叔丁基杯[4]芳烃的烷基化产物。它呈现出扭曲的锥状构象,导致形成一个开放的空腔。所有酚环都发生倾斜,使得它们的叔丁基远离杯状空腔。两个相对的芳香环几乎相互垂直[二面角85.0 (2)°],而另一对相对的环几乎平行[二面角8.1 (2)°],相邻的酚环几乎垂直[二面角82.4 (1)或87.9 (1)°]。在晶体中,水分子和杯芳烃通过O-H⋯O氢键相互作用。