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Tert-Butyl 4-{5-[3-(tri-fluoro-meth-oxy)phen-yl]-1,2,4-oxa-diazol-3-yl}piperazine-1-carboxyl-ate.

ABSTRACT: In the title compound, C18H21F3N4O4, the piperazine ring adopts a chair conformation and the dihedral angle between the oxa-diazole and benzene rings is 6.45?(14)°. The C atoms and their attached H atoms in the piperazine ring are disordered, with site-occupation factors of 0.576?(12) and 0.424?(12). In the crystal, mol-ecules are linked through weak C-H?O inter-actions, generating an R 2 (2)(12) motif. Further, secondary C-H?O inter-molecular inter-actions link the mol-ecules into C(6) chains along [100].

SUBMITTER: Sreenivasa S

PROVIDER: S-EPMC3648287 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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tert-Butyl 4-{5-[3-(tri-fluoro-meth-oxy)phen-yl]-1,2,4-oxa-diazol-3-yl}piperazine-1-carboxyl-ate.

Sreenivasa Swamy S Manojkumar Karikere Ekanna KE Kempaiah Arakyathanahalli A Suchetan Parameshwar Adimoole PA Palakshamurthy Bandrehalli Siddagangaiah BS

Acta crystallographica. Section E, Structure reports online 20130420 Pt 5

In the title compound, C18H21F3N4O4, the piperazine ring adopts a chair conformation and the dihedral angle between the oxa-diazole and benzene rings is 6.45 (14)°. The C atoms and their attached H atoms in the piperazine ring are disordered, with site-occupation factors of 0.576 (12) and 0.424 (12). In the crystal, mol-ecules are linked through weak C-H⋯O inter-actions, generating an R 2 (2)(12) motif. Further, secondary C-H⋯O inter-molecular inter-actions link the mol-ecules into C(6) chains a ...[more]

PMID: 23723907

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