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)

Acta Crystallographica Section E: Crystallographic Communications

Rí¹  Rojas, J.J.²  Bolte, M.⁴  Rivera, A.⁴  os-Motta, J.⁶  Osorio, H.J.⁷ 

[1] , Có, Facultad de Ciencias, Departamento de QuíInstitut füUniversidad Nacional de Colombia, Sede BogotáUniversidad Nacional de Colombia, Sede Manizales, Manizales, Colombia;digo 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;    CO-CRYSTALLINE ADDUCTS;    HYDROGEN BONDING;    TATU;   

DOI  :  10.1107/S2056989016016546

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY