Ngan Ngui Khiong, Wong Richard Chee Seng, Lo Kong Mun, Ng Seik Weng
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m748. doi: 10.1107/S1600536811017260. Epub 2011 May 14.
The Mo(VI) atom in the title co-crystal, [Mo(C(14)H(12)N(2)O(4))O(2)(H(2)O)]·0.5C(10)H(8)N(2), is O,N,O'-chelated by the deprotonated Schiff base and coordinated by the oxide and water O atoms in an octa-hedral geometry. The five-membered chelate ring is planar (r.m.s. deviation = 0.019 Å), but the six-membered chelate ring is puckered (r.m.s. deviation = 0.108 Å). Two mononuclear mol-ecules are linked across a center of inversion by an O-H(water)⋯O hydrogen bond; adjacent dinuclear units are linked by an water-4,4'-bipyridine O-H⋯N hydrogen bond, generating a linear chain structure. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio.
在标题共晶体[Mo(C₁₄H₁₂N₂O₄)O₂(H₂O)]·0.5C₁₀H₈N₂中，Mo(VI)原子被去质子化的席夫碱进行O,N,O'-螯合，并由氧化物和水分子的O原子以八面体几何构型配位。五元螯合环是平面的（均方根偏差 = 0.019 Å），但六元螯合环是褶皱的（均方根偏差 = 0.108 Å）。两个单核分子通过O—H（水）⋯O氢键在一个对称中心处相连；相邻的双核单元通过水 - 4,4'-联吡啶O—H⋯N氢键相连，形成线性链结构。4,4'-联吡啶分子在两个位置上以1:1的比例无序排列。
