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1,3-Diiodo-azulene-2-carbonitrile.

ABSTRACT: In the title compound, C11H5I2N, the two iodine-atom substitutents with their large atomic sizes lead to short intra-molecular I⋯H distances (3.01 Å). In the crystal, the tris-ubstituted azulene system forms π-stacks [centroid-centroid distance = 3.6343 (11) Å] along the a-axis direction, showing the characteristic azulene inter-action mode between the electron-rich five-membered ring and the electron-deficient seven-membered ring. I⋯I [3.9129 (2) Å] non-covalent contacts are observed along with weak C-H⋯N and C-H⋯π. bonds.

SUBMITTER: Forster S

PROVIDER: S-EPMC3647852 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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1,3-Diiodo-azulene-2-carbonitrile.

Förster Sebastian S Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

In the title compound, C11H5I2N, the two iodine-atom substitutents with their large atomic sizes lead to short intra-molecular I⋯H distances (3.01 Å). In the crystal, the tris-ubstituted azulene system forms π-stacks [centroid-centroid distance = 3.6343 (11) Å] along the a-axis direction, showing the characteristic azulene inter-action mode between the electron-rich five-membered ring and the electron-deficient seven-membered ring. I⋯I [3.9129 (2) Å] non-covalent contacts are observed along with ...[more]

PMID: 23723818

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