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首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of 36-di­allyl­tetra­cyclo6.3.0.0411.059undeca-27-dione and 17-di­allyl­penta­cyclo­5.4.0.026. 0310.059undecane-811-dione: allyl­ated caged compounds
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Crystal structures of 36-di­allyl­tetra­cyclo6.3.0.0411.059undeca-27-dione and 17-di­allyl­penta­cyclo­5.4.0.026. 0310.059undecane-811-dione: allyl­ated caged compounds

机译：36-二烯丙基四环6.3.0.0411.059 undeca-27-二酮和17-二烯丙基五环5.4.0.026的晶体结构。 0310.059十一烷-811-二酮：烯丙基化的笼状化合物

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摘要

The title compounds, C17H20O2 (1) and C17H18O2 (2), are allyl­ated caged compounds. In (1), the carbon atoms bearing the allyl groups are far apart [2.9417 (17) Å], hence the expected ring-closing metathesis (RCM) protocol failed to give a ring-closing product. When these carbon atoms are connected by a C—C bond as in (2), the distance between them is much smaller [1.611 (3) Å] and consequently the RCM process was successful. The caged carbon skeleton of (1) can be described as a fusion of four five-membered rings and one six-membered ring. All four five-membered rings exhibit envelope conformations. The structure of compound (2) consists of four five-membered rings, of which two are cyclo­penta­none rings bonded at the 2, 4 and 5 positions and linked at the 3-carbons by a methyl­ene bridge. It also consists of one four-membered and two six-membered rings. All four five-membered rings adopt envelope conformations. In the crystal of (1), mol­ecules are linked via C—H⋯O hydrogen bonds, forming sheets lying parallel to (010). In the crystal of (2), mol­ecules are linked via C—H⋯O hydrogen bonds forming chains along [100].
机译：标题化合物C17H20O2（1）和C17H18O2（2）是烯丙基化的笼状化合物。在（1）中，带有烯丙基的碳原子相距很远[2.9417（17）]，因此预期的闭环复分解（RCM）协议未能提供闭环产物。当这些碳原子通过（2）中的CC键连接时，它们之间的距离要小得多[1.611（3）]，因此RCM工艺成功了。 （1）的笼状碳骨架可以描述为四个五元环和一个六元环的融合。所有四个五元环均表现出包膜构象。化合物（2）的结构由四个五元环组成，其中两个是在2、4和5位键合并通过亚甲基桥在3-碳原子上连接的环戊环酮环。它也由一个四元环和两个六元环组成。所有四个五元环均采用包络构象。在（1）的晶体中，分子通过CHOH氢键连接，形成平行于（010）的片。在（2）的晶体中，分子通过CHOH氢键连接，形成沿着[100]的链。

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