Ioannou Savvas, Moushi Eleni
Chemistry Department, University of Cyprus, Nicosia 1678, Cyprus.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2340-1. doi: 10.1107/S1600536812026797. Epub 2012 Jul 4.
The title compound, C(18)H(24)I(2), has an adamantanoid structure with tetra-hedral cages having four C atoms lying on the same plane [(I-)C-C-C-C(-I) torsion angle = 0°]. The plane is extended by the two I atoms, each having a deviation of 1.0 (6) Å [C-C-C-I torsion angle = 178.9 (4)°]. The central C-C bond connecting the two quaternary carbons seems enlarged [1.593 (9) Å] in comparison to the corresponding bond in [2]diadamantane [1.554 (3) Å]. This is attributed to the presence of the electronegative I atoms, which affect inductively the C atoms of the four-C-atom plane, making the central C-C bond weaker.
标题化合物C(18)H(24)I(2)具有金刚烷型结构，其四面体笼中有四个碳原子位于同一平面上[（I-）C-C-C-C（-I）扭转角 = 0°]。该平面由两个碘原子延伸，每个碘原子的偏差为1.0（6）Å [C-C-C-I扭转角 = 178.9（4）°]。与[2]二金刚烷中相应的键[1.554（3）Å]相比，连接两个季碳原子的中心C-C键似乎变长了[1.593（9）Å]。这归因于电负性碘原子的存在，它们对四个碳原子平面中的碳原子产生诱导作用，使中心C-C键变弱。
