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Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)–4-bromophenol (1/2)
The structure of the 1:2 co-crystalline adduct C(8)H(16)N(4)·2C(6)H(5)BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of ami...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420134/ https://www.ncbi.nlm.nih.gov/pubmed/25995856 http://dx.doi.org/10.1107/S2056989015006684 |
Sumario: | The structure of the 1:2 co-crystalline adduct C(8)H(16)N(4)·2C(6)H(5)BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of aminal cage polyamine plus a 4-bromophenol molecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two intermolecular O—H⋯N hydrogen bonds. In the crystal, the adducts are linked by weak non-conventional C—H⋯O and C—H⋯Br hydrogen bonds, giving a two-dimensional supramolecular structure parallel to the bc plane. |
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