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Synthesis of 4,5-dihydro-4-methyl-1-phenyl-1,4,5-benzotriazocine-2,3,6(1H) triones

โœ Scribed by John K. Daniel; Norton P. Peet

Book ID
112125461
Publisher
Journal of Heterocyclic Chemistry
Year
1978
Tongue
English
Weight
267 KB
Volume
15
Category
Article
ISSN
0022-152X

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In the molecule of the title compound, C 9 H 9 N 3 O, the dihedral angle between the planar rings is 7.49 (3) . In the crystal structure, intermolecular N-Hร ร รO hydrogen bonds link the molecules into dimers, which may be effective in the stabilization of the crystal structure.

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All interatomic distances in the title compound, C~13~H~15~N~3~O~2~S, are normal. The 1,2,4-triazole ring is planar and is inclined at 46.50โ€…(6)ยฐ to the phenyl ring. The ethoxycarbonylmethyl group is also close to being planar and is inclined at 87.54โ€…(9)ยฐ to the 1,2,4-triazole ring. The crystal was