首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Substitutional disorder in the ionic diorganoanti­mony halide adduct bromido/chlorido(0.33/0.67)2-(di­methyl­amino­meth­yl)phen­yl2-(di­methyl­ammonio­meth­yl)phen­ylanti­mony(III) 0.75-bromide 0.25-chloride
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Substitutional disorder in the ionic diorganoanti­mony halide adduct bromido/chlorido(0.33/0.67)2-(di­methyl­amino­meth­yl)phen­yl2-(di­methyl­ammonio­meth­yl)phen­ylanti­mony(III) 0.75-bromide 0.25-chloride

机译:离子二有机锑卤化物加合物溴代/氯代(0.33 / 0.67) 2-(二甲基­氨基­基甲基)苯基 2-(二甲基­氨基­基甲基)苯基基锑(III)0.75-溴化物0.25-氯离子

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摘要

The title complex, [SbBr0.33Cl0.67(C9H13N)(C9H12N)]Br0.75Cl0.25, exhibits substitutional disorder of both halogen atoms in the asymmetric unit, however, with different occupancies. Thus, the halogen atom bonded to Sb has 0.67 (4) occupancy for Cl and 0.33 (4) for Br, while the anionic halogen atom shows 0.75 (4) occupancy for Br and 0.25 (4) for Cl. An N—H⋯Cl/Br hydrogen bond is established between the cation and the halide anion. The coordination geometry of the Sb center in the cation is distorted pseudo-trigonal-bipyramidal as a result of the strong intra­molecular N→Sb coordination trans to the Sb—Cl/Br bond. The pendant arm on the second ligand is twisted away from the metal center. The compound crystallizes as a racemate, i.e. a mixture of (R N2,C Sb1) and (S N2,A Sb1) isomers with respect to planar chirality induced by the coordinating N atom and chelate-induced Sb chirality. These isomers are associated through Cphen­yl—H⋯Cl/Br hydrogen bonds, forming a three-dimensional architecture.
机译:标题配合物,[SbBr0.33Cl0.67(C9H13N)(C9H12N)] Br0.75Cl0.25,在不对称单元中显示两个卤素原子的取代无序,但是占有率不同。因此,与Sb结合的卤素原子的Cl占0.67(4),Br占0.33(4),而阴离子卤素原子显示Br占0.75(4)和Cl占0.25(4)。在阳离子和卤化物阴离子之间建立了NHCHCl / Br氢键。由于强大的分子内N→Sb配位转化为Sb-Cl / Br键,导致阳离子中Sb中心的配位几何结构变形为伪三角双锥体。第二个配体上的悬臂扭离金属中心。该化合物结晶为外消旋体,即(R N2,C Sb1)和(S N2,A Sb1)异构体的混合物,关于由配位N原子诱导的平面手性和螯合物诱导的Sb手性。这些异构体通过苯甲酰基-H⋯Cl / Br氢键缔合,形成三维结构。

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