Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding

共晶加合物 1,3,6,8-四氮杂三环[4.4.1.1(3,8)]十二烷 (TATD)-4-碘苯酚 (1/2) 的晶体结构:卤素键和氢键介导的超分子组装

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Abstract

The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetra-aza-tri-cyclo[4.4.1.1(3,8)]dodecane (TATD)-4-iodo-phenol (1/2), C(8)H(16)N(4)·2C(6)H(5)IO, 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.

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