Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo-[4.3.1.13,8]undecane (TATU) and 4-chloro-3,5-dimethylphenol

Solvent-free treatment of 1,3,6,8-tetra­aza­tri­cyclo­[4.3.1.13,8]undecano (TATU) with 4-chloro-3,5-di­methyl­phenol led to the formation of the title co-crystal, C7H14N4·2C8H9ClO. The asymmetric unit contains one aminal
Solvent-free treatment of 1,3,6,8-tetra­aza­tri­cyclo­[4.3.1.13,8]undecano (TATU) with 4-chloro-3,5-di­methyl­phenol led to the formation of the title co-crystal, C7H14N4·2C8H9ClO. The asymmetric unit contains one aminal cage mol­ecule and two phenol mol­ecules linked via two O-H...N hydrogen bonds. In the aminal cage, the N-CH2-CH2-N unit is slightly distorted from a syn periplanar geometry. Aromatic [pi]-[pi] stacking between the benzene rings from two different neighbouring phenol mol­ecules [centroid-centroid distance = 4.0570 (11) Å] consolidates the crystal packing.
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Metadaten
Author:Augusto Rivera, Jicli José Rojas, John Sadat-Bernal, Jaime Ríos-Motta, Michael Bolte
URN:urn:nbn:de:hebis:30:3-428774
URL:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095854
DOI:http://dx.doi.org/10.1107/S2056989016016650
ISSN:2056-9890
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=27840729
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:2016/10/18
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2017/02/23
Tag:crystal structure; mechanochemical synthesis; mol­ecular co-crystal; π–π stacking
Volume:72
Issue:Pt 11
Pagenumber:9
First Page:1651
Last Page:1653
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:450967190
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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