Fun Hoong-Kun, Chia Tze Shyang, Bhat Mashooq A, Al-Omar Mohamed A, Abdel-Aziz Hatem A
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2524-5. doi: 10.1107/S160053681203259X. Epub 2012 Jul 25.
In the title compound, C(20)H(19)N(3)OS, the central benzene ring makes dihedral angles of 45.36 (9) and 55.33 (9)° with the thio-phene ring and the dimethyl-substituted benzene ring, respectively. The dihedral angle between the thio-phene ring and dimethyl-substituted benzene ring is 83.60 (9)°. The thio-phene ring and the benzene ring are twisted from the mean plane of the C(=O)-N-N=C bridge [maximum deviation = 0.0860 (13) Å], with dihedral angles of 23.86 (9) and 24.77 (8)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds to the same acceptor atom, forming sheets lying parallel to the bc plane. The crystal packing also features C-H⋯π inter-actions.
在标题化合物C₂₀H₁₉N₃OS中,中心苯环与噻吩环和二甲基取代苯环的二面角分别为45.36(9)°和55.33(9)°。噻吩环与二甲基取代苯环之间的二面角为83.60(9)°。噻吩环和苯环相对于C(=O)-N-N=C桥的平均平面发生扭曲[最大偏差 = 0.0860(13)Å],二面角分别为23.86(9)°和24.77(8)°。分子内N-H⋯O氢键形成一个S(6)环。在晶体中,分子通过N-H⋯O和C-H⋯O氢键与同一个受体原子相连,形成平行于bc平面的片层。晶体堆积还具有C-H⋯π相互作用。