Ono Katsuhiko, Tsukamoto Kenichi, Tomura Masaaki
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1873. doi: 10.1107/S1600536809027056.
The title compound, C(24)H(20)N(6)O(2), is a novel 1,3,4-oxadiazole derivative which has potential as an electron-transporting material in organic electroluminescent (EL) devices. In the crystal, the mol-ecular framework is almost planar with an r.m.s. deviation of 0.091 (4) Å and it exists in an E form. Intra-molecular C-H⋯O and C-H⋯N hydrogen bonds are observed between the benzene and 1,3,4-oxadiazole rings. The tert-butyl group is disordered over two sites, with occupancy factors of 0.78 (1) and 0.22 (1) for the major and minor orientations, respectively. In the crystal structure, mol-ecules aggregate via C-H⋯N inter-actions, forming mol-ecular tapes along the b axis, which aggregate to form a mol-ecular sheet via C-H⋯N inter-actions.
标题化合物C(24)H(20)N(6)O(2)是一种新型的1,3,4 - 恶二唑衍生物，在有机电致发光（EL）器件中作为电子传输材料具有潜在应用价值。在晶体中，分子骨架几乎呈平面状，均方根偏差为0.091 (4) Å，且以E型存在。在苯环和1,3,4 - 恶二唑环之间观察到分子内C - H⋯O和C - H⋯N氢键。叔丁基在两个位置上无序，主要和次要取向的占有率因子分别为0.78 (1)和0.22 (1)。在晶体结构中，分子通过C - H⋯N相互作用聚集，沿b轴形成分子带，这些分子带通过C - H⋯N相互作用聚集形成分子层。
