Ouzidan Younes, Jasinski Jerry P, Butcher Raymond J, Golen James A, Essassi El Mokhtar, El Ammari Lahcen
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1095. doi: 10.1107/S1600536811012669. Epub 2011 Apr 13.
In the title mol-ecule, C(17)H(15)BrN(4)O(2), the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015 (2) Å, and forms dihedral angles of 37.8 (2) and 35.5 (2)° with the phenyl and oxazolidine rings, respectively. The conformation adopted by the mol-ecule is stabilized by an intra-molecular π⋯π inter-action [centroid-centroid distance = 3.855(2) Å] between oxazolidine and phenyl rings. The crystal packing features inter-molecular C-H⋯N and C-H⋯O inter-actions.
在标题分子C(17)H(15)BrN(4)O(2)中,稠环体系基本呈平面状,与平均平面的最大偏差为0.015 (2) Å,且分别与苯环和恶唑烷环形成37.8 (2)°和35.5 (2)°的二面角。分子采取的构象通过恶唑烷环与苯环之间的分子内π⋯π相互作用[质心 - 质心距离 = 3.855(2) Å]得以稳定。晶体堆积具有分子间C - H⋯N和C - H⋯O相互作用。