3,7,11-Tris{4-[(1 R ,3 S ,4 S )-neomenthyloxy]phenyl}tri[1,2,4]triazolo[4,3- a :4′,3′- c :4′′,3′′- e ][1,3,5]triazine–chloroform–ethanol (1/1/1)
The title compound, C54H69N9O3·CHCl3·C2H5OH, was prepared by a threefold nucleophilic substitution of p-neomenthyloxyphenyltetrazole on cyanuric chloride followed by threefold cycloelimination of nitrogen and ring closure. The central tristriazolotriazine is roughly planar with a maximum deviation o...
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Veröffentlicht in: | Acta crystallographica. Section E, Structure reports online Structure reports online, 2013-03, Vol.69 (3), p.o365-o366 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The title compound, C54H69N9O3·CHCl3·C2H5OH, was prepared by a threefold nucleophilic substitution of p-neomenthyloxyphenyltetrazole on cyanuric chloride followed by threefold cycloelimination of nitrogen and ring closure. The central tristriazolotriazine is roughly planar with a maximum deviation of 0.089 (7) Å 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)° destroy the formal C3 symmetry. Cavities are found between the phenoxy residues: one is occupied by a chloroform molecule, 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 chlorofrm molecule are disorderd and were refined using a split model. |
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ISSN: | 1600-5368 1600-5368 |
DOI: | 10.1107/S1600536813003498 |