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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
Version: Published version
Publication type: Zeitschriftenaufsatz
License: CC BY
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Journal: Acta crystallographica : Section E, Structure reports online
Pages or article number: o365-o366
Publisher: Munksgaard
Publisher place: Copenhagen
Issue date: 2013
ISSN: 1600-5368
Publisher URL:
Publisher DOI: 10.1107/S1600536813003498
Appears in collections:DFG-OA-Publizieren (2012 - 2017)

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