Ng Seik Weng
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 12;65(Pt 9):o2129. doi: 10.1107/S1600536809030852.
The asymmetric unit of the title compound, 7C(10)H(8)N(2)·4C(10)H(13)N(3)O(2)S·2H(2)O, contains two independent 2,4-hydroxy-benzaldehyde 4-ethyl-thio-semicarbazone mol-ecules, three and a half 4,4'-bipyridine mol-ecules and one water mol-ecule. Two of the 4,4'-bipyridine mol-ecules lie on general positions and the other three on centers of inversion. The two 4,4'-bipyridine mol-ecules on general positions and one of the three on special positions are disordered over two positions each with an occupancy of 0.50. The -NH-C(=S)-NH-NC fragment is close to planar in the two 2,4-hydroxy-benzaldehyde 4-ethyl-thio-semicarbazone mol-ecules (r.m.s. deviations = 0.04 and 0.05 Å). In the crystal, the Schiff base, N-heterocycle and water mol-ecules engage in O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions, generating a layer structure.
标题化合物7C₁₀H₈N₂·4C₁₀H₁₃N₃O₂S·2H₂O的不对称单元包含两个独立的2,4-二羟基苯甲醛4-乙硫基半卡巴腙分子、三个半4,4'-联吡啶分子和一个水分子。两个4,4'-联吡啶分子位于一般位置，另外三个位于对称中心。位于一般位置的两个4,4'-联吡啶分子以及位于特殊位置的三个中的一个在两个位置上无序，占有率均为0.50。在两个2,4-二羟基苯甲醛4-乙硫基半卡巴腙分子中，-NH-C(=S)-NH-NC片段接近平面（均方根偏差分别为0.04和0.05 Å）。在晶体中，席夫碱、含氮杂环和水分子参与O-H⋯O、O-H⋯N和N-H⋯O氢键相互作用，形成层状结构。
