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Ethyl 2-[1-(3-methyl-but-yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo-acetate.

ABSTRACT: In the title compound, C17H21N3O3, the non-planar (r.m.s. deviation = 0.212?Å) ethyl (oxo)acetate group is oriented towards the phenyl substituent. The triazole and benzene rings are twisted with respect to each other, making a dihedral angle of 41.69?(6)°. In the crystal, mol-ecules are arranged into centrosymmetric R 2 (2)(10) dimers via pairs of C-H?O inter-actions involving the ethyl (oxo)acetate groups. In addition, the triazole rings show ?-? stacking inter-actions, with their centroids at a distance of 3.745?(2)?Å.

SUBMITTER: Ahmed MN

PROVIDER: S-EPMC3885041 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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Ethyl 2-[1-(3-methyl-but-yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo-acetate.

Ahmed Muhammad Naeem MN Yasin Khawaja Ansar KA Tahir M Nawaz MN Hafeez Muhammad M Aziz Shahid S

Acta crystallographica. Section E, Structure reports online 20131113 Pt 12

In the title compound, C17H21N3O3, the non-planar (r.m.s. deviation = 0.212 Å) ethyl (oxo)acetate group is oriented towards the phenyl substituent. The triazole and benzene rings are twisted with respect to each other, making a dihedral angle of 41.69 (6)°. In the crystal, mol-ecules are arranged into centrosymmetric R 2 (2)(10) dimers via pairs of C-H⋯O inter-actions involving the ethyl (oxo)acetate groups. In addition, the triazole rings show π-π stacking inter-actions, with their centroids at ...[more]

PMID: 24454217

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