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

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

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Author:Augusto RiveraORCiD, Juan Manuel Uribe, Jicli José Rojas, Jaime Ríos-MottaORCiD, Michael BolteORCiD
Parent Title (German):Acta crystallographica. Section E, Crystallographic communications
Publisher:International Union of Crystallography
Place of publication:Chester
Document Type:Article
Year of Completion:2015
Year of first Publication:2015
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2016/01/28
Tag:TATD; co-crystalline adducts; crystal structure; hydrogen bonding; proton transfer
Page Number:7
First Page:463
Last Page:465
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence , which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):License LogoCreative Commons - Namensnennung 2.0