Cascarano Giovanni L, Ferguson George, Giacovazzo Carmelo, Glidewell Christopher, Spek Anthony L
Istituto di Cristallografia, CNR, Via G. Amendola 122/O, Bari I-70126, Italy.
Acta Crystallogr C. 2013 Jul;69(Pt 7):774-7. doi: 10.1107/S0108270113014601. Epub 2013 Jun 8.
A fully ordered structure is reported for the polymorph of triphenylsilanol-4,4'-bipyridyl (4/1), 4C18H16OSi·C10H8N2, having Z' = 4. The asymmetric unit contains four similar but distinct five-molecule aggregates, in which the central bipyridyl unit is linked to two molecules of triphenylsilanol via O-H···N hydrogen bonds, with a further pair of triphenylsilanol molecules linked to the first pair via O-H···O hydrogen bonds. An extensive series of C-H···π(arene) hydrogen bonds links these aggregates into complex sheets. This structure is compared with a previously reported structure [Bowes, Ferguson, Lough & Glidewell (2003). Acta Cryst. B59, 277-286], which was based on an erroneous disordered structural model arising from a false direct-methods solution with reference to a strong pseudo-inversion centre.
据报道，三苯基硅醇-4,4'-联吡啶（4/1），即4C₁₈H₁₆OSi·C₁₀H₈N₂的多晶型物具有全有序结构，Z' = 4。不对称单元包含四个相似但不同的五分子聚集体，其中中心联吡啶单元通过O-H···N氢键与两个三苯基硅醇分子相连，另有一对三苯基硅醇分子通过O-H···O氢键与第一对相连。一系列广泛的C-H···π(芳烃)氢键将这些聚集体连接成复杂的片层。将该结构与先前报道的结构[Bowes, Ferguson, Lough & Glidewell (2003). Acta Cryst. B59, 277 - 286]进行了比较，后者基于一个错误的无序结构模型，该模型源于参考一个强假反演中心的错误直接法解。
