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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...

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Detalles Bibliográficos
Autores principales: Rivera, Augusto, Uribe, Juan Manuel, Rojas, Jicli José, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
Descripción
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.