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Open Access Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding

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The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[,8]dodecane (TATD)–4-iodophenol (1/2), C8H16N4·2C6H5IO, comprises a half molecule of the aminal cage polyamine plus a 4-iodophenol molecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two intermolecular O—H...N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N...I halogen bonds and weak non-conventional C—H...O and C—H...I hydrogen bonds.
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Document Type: Research Article

Affiliations: 1: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código, Postal 111321, Colombia 2: Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Strasse 7, 60438 Frankfurt/Main, Germany

Publication date: January 1, 2017

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