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Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.13,8]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.


ABSTRACT: The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetra-aza-tri-cyclo[4.4.1.13,8]dodecane (TATD)-4-iodo-phenol (1/2), C8H16N4·2C6H5IO, comprises a half mol-ecule of the aminal cage polyamine plus a 4-iodo-phenol mol-ecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two inter-molecular 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.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC5683492 | BioStudies | 2017-01-01T00:00:00Z

REPOSITORIES: biostudies

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