(E)-3,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone.
(E)-3,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone.
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(E)-3,4-二羟基苯甲醛4-乙基硫代缩氨基脲。
DOI：
10.1107/s1600536808009148
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发表时间：
2008
期刊：
影响因子：
--
通讯作者：
Simpson,Jim
中科院分区：
文献类型：
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作者：
Kayed,Safa'aFares;Farina,Yang;Baba,Ibrahim;Simpson,Jim
以3,4-二羟基苯甲醛与4-乙基-3-硫代氨基脲缩合制备了标题化合物C10H13N3O2S。分子的C=N键呈E构型。二羟基环上的一个羟基取代基在有序的4-羟基两边的两个可能的3位上是无序的。主要失序分量的占用率细化为0.633(7)。分子本质上是平面的，通过所有非氢原子的均方根偏差为0.0862 Å。在外部胺残基和亚胺N原子之间形成分子内N - h⋯N氢键，产生S(5)环基序并有助于分子的平面性。在晶体结构中，经典的O - h⋯O， O - h⋯S和N-H⋯S氢键和弱的C-H⋯O和S⋯O [3.301 (3) Å]相互作用的广泛网络将分子连接成近似平行于ab平面的薄片。
The title compound, C10H13N3O2S, was prepared by condensation of 3,4-dihydroxybenzaldehyde with 4-ethyl-3-thiosemicarbazide. The molecule adopts an E configuration with respect to the C=N bond. One of the OH substituents on the dihydroxybenzene ring is disordered over the two possible 3-positions on either side of the ordered 4-hydroxy group. The occupancy of the major disorder component refined to 0.633 (7). The molecule is essentially planar, with an r.m.s. deviation through all non-H atoms of 0.0862 Å. An intramolecular N—H⋯N hydrogen bond forms between the outer amine residue and the imine N atom, generating an S(5) ring motif and contributing to the planarity of the molecule. In the crystal structure, an extensive network of classical O—H⋯O, O—H⋯S and N—H⋯S hydrogen bonds and weak C—H⋯O and S⋯O [3.301 (3) Å] interactions link molecules into sheets running approximately parallel to the ab plane.