4-{5-[3-(三氟甲氧基)苯基]-1,2,4-恶二唑-3-基}哌嗪-1-羧酸叔丁酯

Sreenivasa Swamy, Manojkumar Karikere Ekanna, Kempaiah Arakyathanahalli, Suchetan Parameshwar Adimoole, Palakshamurthy Bandrehalli Siddagangaiah

Department of Studies and Research in Chemistry, Tumkur University, Tumkur, Karnataka 572 103, India.

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o761. doi: 10.1107/S1600536813010131. Print 2013 May 1.

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].

在标题化合物C₁₈H₂₁F₃N₄O₄中，哌嗪环呈椅式构象，恶二唑环与苯环之间的二面角为6.45 (14)°。哌嗪环中的C原子及其连接的H原子无序，占位因子分别为0.576 (12) 和0.424 (12)。在晶体中，分子通过弱C—H⋯O相互作用相连，形成R 2 (2)(12) 模式。此外，二级C—H⋯O分子间相互作用将分子沿[100] 方向连接成C(6) 链。