Al-Dies Al-Anood M, 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.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 2;69(Pt 4):o480-1. doi: 10.1107/S1600536813005461. Print 2013 Apr 1.
In the title compound, C21H15BrN2O2, the 14 non-H atoms of the 4H-benzo[h]chromene fused-ring system are approximately coplanar (r.m.s. deviation = 0.129 Å). Within this system, the 4H-pyran ring adopts a flattened half-chair conformation with the methine C atom lying 0.281 (4) Å above the plane of the remaining atoms (r.m.s. deviation = 0.0446 Å). The bromo-benzene ring is almost perpendicular to the fused-ring system [dihedral angle = 85.34 (13)°]. In the crystal, supra-molecular layers parallel to (101) are sustained by amine-cyano N-H⋯N and amine-meth-oxy N-H⋯O hydrogen bonds. The layers stack with inter-actions of the type (bromo-benzene)C-H⋯π(outer-C6 ring of the fused-ring system) connecting them.
在标题化合物C₂₁H₁₅BrN₂O₂中，4H-苯并[h]色烯稠环体系的14个非氢原子近似共平面（均方根偏差 = 0.129 Å）。在该体系内，4H-吡喃环呈扁平的半椅构象，次甲基C原子位于其余原子平面上方0.281(4) Å处（均方根偏差 = 0.0446 Å）。溴苯环几乎垂直于稠环体系[二面角 = 85.34(13)°]。在晶体中，平行于(101)的超分子层由胺-氰基N-H⋯N和胺-甲氧基N-H⋯O氢键维持。这些层通过(bromo-benzene)C-H⋯π(稠环体系的外C6环)类型的相互作用堆叠在一起。
