（Z）-4-甲基苄基 3-[1-(5-甲基吡啶-2-基)亚乙基]二硫代氨基甲酸酯的晶体结构
Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate.
作者信息
Ravoof Thahira Begum S A, Tiekink Edward R T, Omar Siti Aminah, Begum Sharifa Zaithun, Tahir Mohamed I M
机构信息
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.
出版信息
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。
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