Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]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[4.4.1.13,8]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit
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.…


Author: | Augusto Rivera, Juan Manuel Uribe, Jicli José Rojas, Jaime Ríos-Motta, Michael Bolte |
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URN: | urn:nbn:de:hebis:30:3-392335 |
DOI: | http://dx.doi.org/10.1107/S2056989015006684 |
ISSN: | 2056-9890 |
Parent Title (German): | Acta crystallographica. Section E, Crystallographic communications |
Publisher: | International Union of Crystallography |
Place of publication: | Chester |
Document Type: | Article |
Language: | English |
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 |
Volume: | 71 |
Pagenumber: | 7 |
First Page: | 463 |
Last Page: | 465 |
Note: | This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode , which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
HeBIS PPN: | 376977191 |
Institutes: | Biochemie und Chemie |
Dewey Decimal Classification: | 540 Chemie und zugeordnete Wissenschaften |
Sammlungen: | Universitätspublikationen |
Licence (German): | ![]() |