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Crystal structure of 1-(2,4-di-methyl-phen-yl)-2-(4-tri-methyl-silyl-1H-1,2,3-triazol-1-yl)ethanone.

ABSTRACT: The asymmetric unit of the title compound, C15H21N3OSi, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163?Å). The dihedral angles between the planes of the 1,2,3-triazole and 2,4-di-methyl-benzene rings are 27.0?(3) and 19.5?(3)°. In the crystal, mol-ecules are linked by very weak C-H?O and C-H?N hydrogen bonds to generate [100] chains. The chains are cross-linked by C-H?? inter-actions.

SUBMITTER: Venkatesh GB

PROVIDER: S-EPMC4257412 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 1-(2,4-di-methyl-phen-yl)-2-(4-tri-methyl-silyl-1H-1,2,3-triazol-1-yl)ethanone.

Venkatesh G B GB Nagarajaiah H H Prasad N L NL HariPrasad S S Begum Noor Shahina NS

Acta crystallographica. Section E, Structure reports online 20141112 Pt 12

The asymmetric unit of the title compound, C15H21N3OSi, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163 Å). The dihedral angles between the planes of the 1,2,3-triazole and 2,4-di-methyl-benzene rings are 27.0 (3) and 19.5 (3)°. In the crystal, mol-ecules are linked by very weak C-H⋯O and C-H⋯N hydrogen bonds to generate [100] chains. The chains are cross-linked by C-H⋯π inter-actions. ...[more]

PMID: 25553028

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