Ravoof Thahira Begum S A, Tiekink Edward R T, Omar Siti Aminah, Begum Sharifa Zaithun, Tahir Mohamed I M
Department of Chemistry, Universiti Putra Malaysia, 43400 Serdang, Malaysia.
Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
Acta Crystallogr E Crystallogr Commun. 2015 Dec 19;71(Pt 12):o1071-2. doi: 10.1107/S205698901502407X. eCollection 2015 Dec 1.
In the title di-thio-carbazate compound, C17H19N3S2, the central CN2S2 residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted mol-ecule; the dihedral angle between the rings is 85.56 (8)°. The configuration about the C=N bond is Z, which allows for the formation of an intra-molecular N-H⋯N(pyrid-yl) hydrogen bond. The packing features tolyl-methyl-C-H⋯N(imine), pyridyl-C-H⋯π(tol-yl) and π-π inter-actions [between pyridyl rings with a distance = 3.7946 (13) Å], which generates jagged supra-molecular layers that stack along the b axis with no directional inter-actions between them.
在标题二硫代卡巴腙化合物C₁₇H₁₉N₃S₂中，中心CN₂S₂残基基本呈平面状（均方根偏差 = 0.0288 Å），分别与取代吡啶基环和对甲苯基环形成9.77(8)°和77.47(7)°的二面角，表明该分子高度扭曲；环之间的二面角为85.56(8)°。C=N键的构型为Z型，这使得分子内形成了N-H⋯N(吡啶基)氢键。堆积特征包括甲苯基甲基-C-H⋯N(亚胺)、吡啶基-C-H⋯π(甲苯基)和π-π相互作用[吡啶基环之间的距离 = 3.7946(13) Å]，这产生了锯齿状的超分子层，它们沿b轴堆叠，层间没有定向相互作用。
