Al-Youbi Abdulrahman O, Asiri Abdullah M, Faidallah Hassan M, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1027-8. doi: 10.1107/S1600536812010033. Epub 2012 Mar 10.
In the title compound, C(20)H(13)N(3)S, the partially saturated ring adopts a twisted half-boat conformation with the methyl-ene C atom closest to the amino-benzene ring lying 0.690 (6) Å out of the plane defined by the five remaining atoms. The dihydro-phenanthrene residue has a folded conformation [dihedral angle between the outer benzene rings = 26.27 (18)°]. The thio-phen-2-yl ring forms a dihedral angle of 63.76 (19)° with the benzene ring to which it is attached. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R(2) (2)(12) loops. The dimers are linked into layers in the bc plane by weak C-H⋯π inter-actions. The thio-phen-2-yl ring is disordered over two essentially coplanar but opposite orientations in a 0.918 (4):0.082 (4) ratio.
在标题化合物C₂₀H₁₃N₃S中，部分饱和环呈扭曲的半船式构象，最靠近氨基苯环的亚甲基C原子偏离由其余五个原子所定义平面0.690 (6) Å。二氢菲残基呈折叠构象[外部苯环之间的二面角 = 26.27 (18)°]。噻吩-2-基环与其相连的苯环形成的二面角为63.76 (19)°。在晶体中，通过N-H⋯N氢键对连接的反演二聚体形成R₂²(₁₂)环。这些二聚体通过弱C-H⋯π相互作用在bc平面上连接成层。噻吩-2-基环在两个基本共面但方向相反的取向上无序，比例为0.918 (4):0.082 (4)。
