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7,7'-(3,3'-Dibenzyl-3H,3'H-4,4'-bi-1,2,3-triazole-5,5'-di-yl)bis-(4-methyl-2H-chromen-2-one).


ABSTRACT: The title compound, a bis-5,5'-triazole, C(38)H(28)N(6)O(4), was observed as a side-product from the Sharpless-Meldal click reaction of the corresponding coumarin alkyne and benzyl-azide. Although the compound was present as a minor component, it crystallized in preference to the major product. The two triazole rings are almost orthogonal to each other [dihedral angle = 83.8?(1)°]. However the 4 and 4' coumarin systems are close to coplanar with their respective triazole rings [23.6?(1) and 15.1?(1)°]. Each of the benzene rings packs approximately face-to-face with the opposing coumarin ring systems, with inter-planar angles of 7.7?(1) and 25.3?(1)° and distances of 3.567?(2) and 3.929?(2)?Å between the respective centroids of the opposing rings.

SUBMITTER: Key JA 

PROVIDER: S-EPMC2959342 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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7,7'-(3,3'-Dibenzyl-3H,3'H-4,4'-bi-1,2,3-triazole-5,5'-di-yl)bis-(4-methyl-2H-chromen-2-one).

Key Jessie A JA   Cairo Christopher W CW   Ferguson Michael J MJ  

Acta crystallographica. Section E, Structure reports online 20080913 Pt 10


The title compound, a bis-5,5'-triazole, C(38)H(28)N(6)O(4), was observed as a side-product from the Sharpless-Meldal click reaction of the corresponding coumarin alkyne and benzyl-azide. Although the compound was present as a minor component, it crystallized in preference to the major product. The two triazole rings are almost orthogonal to each other [dihedral angle = 83.8 (1)°]. However the 4 and 4' coumarin systems are close to coplanar with their respective triazole rings [23.6 (1) and 15.1  ...[more]

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