Title of article :
Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) and 4-chloro-3,5-dimethylphenol
Author/Authors :
Rivera, Augusto Universidad Nacional de Colombia, Sede Bogotá - Facultad de Ciencias - Departamento de Química, Colombia , José Rojas, Jicli Universidad Nacional de Colombia, Sede Bogotá - Facultad de Ciencias - Departamento de Química, Colombia , Sadat-Bernal, John Universidad Nacional de Colombia, Sede Bogotá - Facultad de Ciencias - Departamento de Química, 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 :
Solvent-free treatment of 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecano (TATU) with 4-chloro-3,5-dimethylphenol led to the formation of the title co-crystal, C7H14N4·2C8H9ClO. The asymmetric unit contains one aminal cage molecule and two phenol molecules linked via two O—H⋯N hydrogen bonds. In the aminal cage, the N–CH2–CH2–N unit is slightly distorted from a syn periplanar geometry. Aromatic π–π stacking between the benzene rings from two different neighbouring phenol molecules [centroid–centroid distance = 4.0570 (11) Å] consolidates the crystal packing.
Keywords :
crystal structure , molecular co-crystal , mechanochemical synthesis , π–π stacking
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
