Wang Haitao, Jia Xiaoshi, Qu Songnan, Bai Binglian, Li Min
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3360. doi: 10.1107/S1600536811048513. Epub 2011 Nov 19.
The title mol-ecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-mol-ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These mol-ecules are π-stacked along the crystallographic a axis, with an inter-planar distance of 3.337 (1) Å. Adjacent mol-ecules are slipped from the 'ideal' cofacial π-stack in both the long and short mol-ecular axis (the long mol-ecular axis is defined as the line through the naphthalene C atom in the 6-position and the mol-ecular center, the short mol-ecular axis is in the mol-ecular plane perpendicular to it). The slip distance along the long mol-ecular axis (S(1)) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S(2), along the short mol-ecular axis) is 1.159 (8) Å.
标题分子C(24)H(14)N(4)O(2)位于一个倒转中心上,不对称单元包含半个分子。萘环系统相对于恶二唑环略有扭曲,二面角为1.36 (6)°。这些分子沿晶体学a轴进行π堆积,平面间距为3.337 (1) Å。相邻分子在长分子轴和短分子轴上均偏离“理想”的共面π堆积(长分子轴定义为通过6位萘碳原子和分子中心的直线,短分子轴位于与其垂直的分子平面内)。沿长分子轴的滑移距离(S(1))为7.064 (1) Å,几乎是两个环长度的位移。侧向滑移(S(2),沿短分子轴)为1.159 (8) Å。