首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Polymorphism of 2,5-[(di-phenyl-phosphan-yl)meth-yl]-1,1,2,4,4,5-hexa- phenyl-1,4-diphospha-2,5-dibora-cyclo-hexa-ne
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Polymorphism of 2,5-[(di-phenyl-phosphan-yl)meth-yl]-1,1,2,4,4,5-hexa- phenyl-1,4-diphospha-2,5-dibora-cyclo-hexa-ne

机译:2,5-[(苯基-膦基-甲基)甲基] -1,1,2,4,4,5-六-苯基-1,4-二磷-2,5-二硼杂环-己烯

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摘要

2,5-[(Di-phenyl-phosphan-yl)meth-yl]-1,1,2,4,4,5-hexa-phenyl-1, 4-diphospha-2,5-dibora-cyclo-hexane shows polymorphism as two tetra-hydro-furan (THF) disolvates [C64H58B2P4·2C4H8O, (Ia) and (Ib)] and pseudo-polymorphism as its toluene mono-solvate [C64H58B2P4·C7H8, (Ic)]. In each of polymorphs (Ia) and (Ib), the diphosphadibora-cyclo-hexane mol-ecule is located on a centre of inversion. The THF mol-ecule of (Ib) is disordered over two sites, with a site-occupation factor of 0.612 (8) for the major-occupied site. Both structures crystallize in the same space group (P21), but they display a different crystal packing. For pseudo-polymorph (Ic), although the space group is P21/c, which is just a different setting of the P21 space group of (Ia) and (Ib), the crystal packing is completely different. Although the crystal packing in these three structures is significantly different, their mol-ecular conformations are surprisingly the same.
机译:2,5-[(二苯基-膦基-甲基)甲基-基] -1,1,2,4,4,5-六苯基-1,4-二磷-2,5-二硼烷基-环己烷显示了两个四氢呋喃(THF)溶剂化物[C64H58B2P4·2C4H8O,(Ia)和(Ib)]的多态性,以及甲苯单溶剂化物[C64H58B2P4·C7H8,(Ic)]的假多态性。在多晶型物(Ia)和(Ib)中的每一个中,二磷二硼烷基-环己烷摩尔分子位于反转中心。 (Ib)的THF分子在两个位点上无序,主要位点的位点占据因子为0.612(8)。两种结构都在相同的空间群(P21 / n)中结晶,但它们显示出不同的晶体堆积。对于伪多晶型物(Ic),尽管空间组为P21 / c,这只是(Ia)和(Ib)的P21 / n空间组的不同设置,但晶体堆积却完全不同。尽管这三个结构中的晶体堆积显着不同,但它们的分子构象令人惊讶地相同。

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