Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1 3,8 ]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding

The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[4.4.1.1 3,8 ]dodecane (TATD)–4-iodophenol (1/2), C 8 H 16 N 4 ·2C 6 H 5 IO, comprises a half molecule of the aminal cage polyamine plus a 4-iodophenol molecule. A twofold rotation axis generates the other half of the ad...

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Published inActa crystallographica. Section E, Crystallographic communications Vol. 73; no. 11; pp. 1692 - 1695
Main Authors Rivera, Augusto, Rojas, Jicli José, Ríos-Motta, Jaime, Bolte, Michael
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.11.2017
Subjects
co-crystalline adduct
crystal structure
halogen bonding
hydrogen bonding
TATD
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Summary:The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[4.4.1.1 3,8 ]dodecane (TATD)–4-iodophenol (1/2), C 8 H 16 N 4 ·2C 6 H 5 IO, 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989017014943