title: Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane (TATD)-4-bromo-phenol (1/2).
abstract: The structure of the 1:2 co-crystalline adduct C8H16N4·2C6H5BrO, (I), from the solid-state reaction of 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodecane (TATD) and 4-bromo-phenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half mol-ecule of aminal cage polyamine plus a 4-bromo-phenol mol-ecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two inter-molecular 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 supra-molecular structure parallel to the bc plane.
authors.affiliation: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
authors.forename: Augusto
authors.initials: A
authors.lastname: Rivera
authors.affiliation: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
authors.forename: Juan Manuel
authors.initials: JM
authors.lastname: Uribe
authors.affiliation: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
authors.forename: Jicli José
authors.initials: JJ
authors.lastname: Rojas
authors.affiliation: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
authors.forename: Jaime
authors.initials: J
authors.lastname: Ríos-Motta
authors.affiliation: Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Strasse 7, 60438 Frankfurt/Main, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Bolte
keywords: TATD; co-crystalline adducts; crystal structure; hydrogen bonding; proton transfer