Arif Tawfeeq Nabeel, Kwong Huey Chong, Mohamed Tahir Mohamed Ibrahim, Ravoof Thahira B S A
Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor Darul Ehsan, Malaysia.
Department of Chemistry, College of Education for Women, University of Anbar, Iraq.
Acta Crystallogr E Crystallogr Commun. 2019 Oct 3;75(Pt 11):1613-1619. doi: 10.1107/S2056989019013458. eCollection 2019 Nov 1.
In the title hydrazinecarbodi-thio-ate derivative, CHNOS, the asymmetric unit is comprised of four mol-ecules ( = 8 and ' = 4). The 4-meth-oxy-phenyl rings are slightly twisted away from their attached olefinic double bonds [torsion angles = 5.9 (4)-19.6 (4)°]. The azomethine double bond has an configuration relative to one of the C=C bonds and an configuration relative to the other [C=C-C= N = 147.4 (6)-175.7 (2) and 15.3 (3)-37.4 (7)°, respectively]. The torsion angles between the azomethine C=N double bond and hydrazine-1-carbodi-thio-ate moiety indicate only small deviations from planarity, with torsion angles ranging from 0.9 (3) to 6.9 (3)° and from 174.9 (3) to 179.7 (2)°, respectively. The benzyl ring and the methyl-enesulfanyl moiety are almost perpendicular to each other, as indicated by their torsion angles [range 93.7 (3)-114.6 (2)°]. In the crystal, mol-ecules are linked by C-H⋯O, N-H⋯S and C-H⋯π(ring) hydrogen-bonding inter-actions into a three-dimensional network. Structural details of related benzyl hydrazine-1-carbodi-thio-ate are surveyed and compared with those of the title compound.
在标题为肼基二硫代甲酸酯衍生物CHNOS中，不对称单元由四个分子组成（Z = 8且Z' = 4）。4-甲氧基苯基环相对于其连接的烯键式双键略有扭曲[扭转角 = 5.9 (4)-19.6 (4)°]。偶氮甲碱双键相对于其中一个C=C键具有E构型，相对于另一个C=C键具有Z构型[C=C-C=N分别为147.4 (6)-175.7 (2)°和15.3 (3)-37.4 (7)°]。偶氮甲碱C=N双键与肼基二硫代甲酸酯部分之间的扭转角表明与平面性仅有小的偏差，扭转角分别为0.9 (3)至6.9 (3)°和174.9 (3)至179.7 (2)°。苄基环和亚甲基硫烷基部分几乎相互垂直，这由它们的扭转角[范围为93.7 (3)-114.6 (2)°]表明。在晶体中，分子通过C-H⋯O、N-H⋯S和C-H⋯π(环)氢键相互作用连接成三维网络。对相关苄基肼基二硫代甲酸酯的结构细节进行了研究并与标题化合物的结构细节进行了比较。
