(4Z)-1-甲基-4-[(2E)-2-(4-甲基-亚苄基)肼-1-亚基]-3,4-二氢-1H-2λ(6),1-苯并噻嗪-2,2-二酮
(4Z)-1-Methyl-4-[(2E)-2-(4-methyl-benzyl-idene)hydrazin-1-yl-idene]-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.
作者信息
Shafiq Muhammad, Harrison William T A, Khan Islam Ullah
机构信息
Department of Chemistry, Government College University, Faisalabad 38000, Pakistan.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2971. doi: 10.1107/S1600536812039529. Epub 2012 Sep 22.
In the title compound, C(17)H(17)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N-N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.823 (9) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic π-π stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) Å and inter-planar angle = 6.3 (4)°].
在标题化合物C₁₇H₁₇N₃O₂S中，芳环之间的二面角为6.3（5）°，C=N-N=C基团在统计学上是平面的[扭转角 = 179.8（8）°]。噻嗪环的构象为信封式，S原子偏离其他五个原子的平均平面0.823（9）Å（均方根偏差 = 0.012 Å）。在晶体中，C-H⋯O相互作用将分子连接成沿[101]方向传播的C（5）链。这些链通过苯环和甲苯环之间的弱芳香π-π堆积得以巩固[质心到质心间距 = 3.826（5）Å，平面间夹角 = 6.3（4）°]。
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