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)