Kutter Felix, Düker Matthias H, Zeller Matthias, Azov Vladimir A
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 26;67(Pt 3):o728-9. doi: 10.1107/S160053681100660X.
The title calix[4]arene, C(44)H(52)Cl(4)O(4), displays the 1,3-alternate conformation with crystallographically imposed twofold symmetry. Four phenolic rings of the calixarene backbone are tilted into the calix cavity, making dihedral angles of 77.42 (2) and 77.71 (2)° with the plane of the four bridging methyl-ene C atoms. Pairs of opposite aromatic rings make dihedral angles of 25.16 (3) and 24.58 (4)° with each other. In the crystal, the calixarene mol-ecules pack with the formation of infinite columns along the b axis. The crystal packing shows a network of C-H⋯Cl contacts, which can be considered as non-classical hydrogen bonds.
杯[4]芳烃,化学式为C(44)H(52)Cl(4)O(4),呈现出具有晶体学二重对称性的1,3-交替构象。杯芳烃主链的四个酚环向杯状空腔内倾斜,与四个桥连亚甲基C原子所在平面的二面角分别为77.42 (2)°和77.71 (2)°。相对的芳环对之间的二面角为25.16 (3)°和24.58 (4)°。在晶体中,杯芳烃分子沿b轴堆积形成无限长的柱体。晶体堆积呈现出C-H⋯Cl接触网络,可被视为非经典氢键。