Camargo Leandro R S, Zukerman-Schpector Julio, Deobald Anna M, Braga Antonio L, Tiekink Edward R T
Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.
Departmento de Química, Universidade Federal de Santa Maria, 97105-900 Santa Maria, RS, Brazil.
Acta Crystallogr E Crystallogr Commun. 2015 Feb 25;71(Pt 3):o202-3. doi: 10.1107/S2056989015003230. eCollection 2015 Mar 1.
In the title compound, C21H17N3OSe, the dihedral angles between the central five-membered ring and the C- and N-bound rings are 17.89 (10) and 42.35 (10)°, respectively, indicating the mol-ecule is twisted. The dihedral angle between the Se-bound rings is 85.36 (10)°. A close intra-molecular Se⋯O contact of 2.8507 (13) Å is noted. In the crystal, C-H⋯O, C-H⋯N and C-H⋯π inter-actions lead to the formation of supra-molecular layers parallel to (011); these stack with no specific inter-molecular inter-actions between them.
在标题化合物C₂₁H₁₇N₃OSe中，中心五元环与C键合环和N键合环之间的二面角分别为17.89 (10)°和42.35 (10)°，表明分子呈扭曲状。Se键合环之间的二面角为85.36 (10)°。注意到分子内存在2.8507 (13) Å的紧密Se⋯O接触。在晶体中，C-H⋯O、C-H⋯N和C-H⋯π相互作用导致形成平行于(011)的超分子层；这些超分子层堆积在一起，它们之间没有特定的分子间相互作用。
