Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.13,8]dodecane (TATD)–4-bromo­phenol (1/2)

Acta Crystallographica Section E: Crystallographic Communications

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

[1] , Có, Facultad de Ciencias, Departamento de QuíInstitut füUniversidad Nacional de Colombia, Sede Bogotádigo Postal 111321, Colombia;mica, Cra 30 No. 45-03, Bogotár Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Strasse 7, 60438 Frankfurt/Main, Germany

关键词: CRYSTAL STRUCTURE;    CO-CRYSTALLINE ADDUCTS;    TATD;    PROTON TRANSFER;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015006684

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The structure of the 1:2 co-crystalline adduct C8H16N4·2C6H5BrO, (I), from the solid-state reaction of 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.13,8]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.

【 授权许可】

CC BY