Please use this identifier to cite or link to this item:
http://doi.org/10.25358/openscience-7965
Authors: | Herget, Karoline Schollmeyer, Dieter Detert, Heiner |
Title: | 3,7,11-Tris{4-[(1R,3S,4S)-neomenthyloxy]phen-yl}tri[1,2,4]triazolo[4,3-a:4',3'-c:4'',3''-e][1,3,5]triazine-chloroform-ethanol (1/1/1) |
Online publication date: | 13-Oct-2022 |
Year of first publication: | 2013 |
Language: | english |
Abstract: | The title compound, C54H69N9O3.CHCl3.C2H5OH, was prepared by a threefold nucleophilic substitution of p-neomenthyloxyphenyl-tetra-zole on cyanuric chloride followed by threefold cyclo-elimination of nitro-gen and ring closure. The central tris-triazolotriazine is roughly planar with a maximum deviation of 0.089 (7) A but the adjacent benzene rings are twisted out of this plane. N-C-C-C torsion angles of -80.2 (9), 159.3 (7) and 50.6 (10) degrees destroy the formal C3 symmetry. Cavities are found between the phen-oxy residues: one is occupied by a chloro-form mol-ecule, another by ethanol forming a hydrogen bond to a triazole ring while two isopropyl groups point into the third void. One methyl group and the chloro-frm mol-ecule are disorderd and were refined using a split model. |
DDC: | 540 Chemie 540 Chemistry and allied sciences |
Institution: | Johannes Gutenberg-Universität Mainz |
Department: | FB 09 Chemie, Pharmazie u. Geowissensch. |
Place: | Mainz |
ROR: | https://ror.org/023b0x485 |
DOI: | http://doi.org/10.25358/openscience-7965 |
Version: | Published version |
Publication type: | Zeitschriftenaufsatz |
License: | CC BY |
Information on rights of use: | https://creativecommons.org/licenses/by/2.0/uk/ |
Journal: | Acta crystallographica : Section E, Structure reports online 69 3 |
Pages or article number: | o365-o366 |
Publisher: | Munksgaard |
Publisher place: | Copenhagen |
Issue date: | 2013 |
ISSN: | 1600-5368 |
Publisher URL: | http://dx.doi.org/10.1107/S1600536813003498 |
Publisher DOI: | 10.1107/S1600536813003498 |
Appears in collections: | DFG-OA-Publizieren (2012 - 2017) |
Files in This Item:
File | Description | Size | Format | ||
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3711tris{4[1r3s4sneomenthylox-20220925143901392.pdf | 346.86 kB | Adobe PDF | View/Open |