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

Acta Crystallographica Section E: Crystallographic Communications

Rí¹  Rojas, J.J.²  Bolte, M.⁴  Rivera, A.⁴  os-Motta, J.⁵  Sadat-Bernal, J.⁶ 

[1] , Có, Facultad de Ciencias, Departamento de QuíInstitut füUniversidad Nacional de Colombia, Sede Bogotádigo Postal 110911, Colombia;mica, Cra 30 No. 45-03, Bogotár Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Str. 7, 60438 Frankfurt/Main, Germany

关键词: CRYSTAL STRUCTURE;    MOLECULAR CO-CRYSTAL;    MECHANOCHEMICAL SYNTHESIS;    [PI]-[PI] STACKING;   

DOI  :  10.1107/S2056989016016650

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY