Title of article :
Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) and 4-chlorophenol (1/2)
Author/Authors :
Rivera, Augusto Universidad Nacional de Colombia, Sede Bogotá - Facultad de Ciencias - Departamento de Química, Colombia , Rojas, Jicli José Universidad Nacional de Colombia, Sede Bogotá - Facultad de Ciencias - Departamento de Química, Colombia , Osorio, Héctor Jairo Universidad Nacional de Colombia - Sede Manizales, Manizales, Colombia , Ríos-Motta, Jaime Universidad Nacional de Colombia, Sede Bogotá - Facultad de Ciencias - Departamento de Química, Colombia , Bolte, Michael Institut für Anorganische Chemie - J. W. Goethe-Universität Frankfurt, Germany
Abstract :
In the title compound, C7H14N4·2C6H5ClO, which crystallized with two crystallographically independent 4-chlorophenol molecules and one 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) molecule in the asymmetric unit, the independent components are linked by two O—H⋯N hydrogen bonds. The hydrogen-bond acceptor sites are two non-equivalent N atoms from the aminal cage structure, and the tricyclic system distorts by changing the C—N bond lengths. In the crystal, these hydrogen-bonded aggregates are linked into chains along the c axis by C—H⋯N hydrogen bonds. The crystal structure also features C—H⋯π contacts.
Keywords :
crystal structure , TATU , hydrogen bonding , co-crystalline adducts , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
