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)

  • 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...[pi] contacts.

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Author:Augusto RiveraORCiD, Jicli José Rojas, Héctor Jairo OsorioORCiD, Jaime Ríos-MottaORCiD, Michael BolteORCiD
URN:urn:nbn:de:hebis:30:3-428787
URL:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095853
DOI:https://doi.org/10.1107/S2056989016016546
ISSN:2056-9890
Pubmed Id:https://pubmed.ncbi.nlm.nih.gov/27840728
Parent Title (English):Acta crystallographica. Section E, Crystallographic communications
Publisher:International Union of Crystallography
Place of publication:Chester
Contributor(s):Jim Simpson
Document Type:Article
Language:English
Date of Publication (online):2017/02/23
Date of first Publication:2016/10/17
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2017/02/23
Tag:TATU; co-crystalline adducts; crystal structure; hydrogen bonding
Volume:72
Issue:Pt 11
Page Number:9
First Page:1648
Last Page:1650
Note:
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.
HeBIS-PPN:45096731X
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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