El-Agrody Ahmed M, Al-Omar Mohamed A, Amr Abd El-Galil E, Ng Seik Weng, Tiekink Edward R T
Chemistry Department, Faculty of Science, King Khalid University, Abha 61413, PO Box 9004, Saudi Arabia ; Chemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, 11884, Egypt.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 2;69(Pt 4):o476-7. doi: 10.1107/S160053681300545X. Print 2013 Apr 1.
The title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052 Å), with the fluoro-benzene ring being almost perpendicular to this [dihedral angle = 85.30 (7) °]. The furan ring has a flattened half-chair conformation, with the methine C atom deviating by 0.132 (2) Å from the plane of the remaining atoms (r.m.s. deviation = 0.0107 Å). In the crystal, inversion dimers are formed via pairs of amine-cyano N-H⋯N hydrogen bonds. The dimers are connected into a three-dimensional architecture by C-H⋯N(cyano), C-H⋯π and π-π [inter-centroid distance = 3.6671 (10) Å] inter-actions.
标题化合物C21H15FN2O2具有一个近似平面的1H-苯并[f]色烯稠环体系（14个非氢原子的均方根偏差 = 0.052 Å），其中氟苯环几乎垂直于该体系[二面角 = 85.30(7)°]。呋喃环具有一个扁平的半椅构象，次甲基C原子偏离其余原子平面0.132(2) Å（均方根偏差 = 0.0107 Å）。在晶体中，通过成对的胺-氰基N-H⋯N氢键形成反演二聚体。这些二聚体通过C-H⋯N（氰基）、C-H⋯π和π-π[质心间距 = 3.6671(10) Å]相互作用连接成三维结构。
