2,9-Diiodo-hexa-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13).0(1,8)]octa-deca-ne.

ABSTRACT: 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.

SUBMITTER: Ioannou S 

PROVIDER: S-EPMC3414276 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature