首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Bis(3,5-dimeth­oxy-2-{[2-(pyridin-2-yl)ethyl­imino-κN]­meth­yl}phenolato-κO)bis­(dimethyl sulfoxide)­manganese(III) perchlorate methanol 0.774-solvate
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Bis(3,5-dimeth­oxy-2-{[2-(pyridin-2-yl)ethyl­imino-κN]­meth­yl}phenolato-κO)bis­(dimethyl sulfoxide)­manganese(III) perchlorate methanol 0.774-solvate

机译:双(3,5-二甲氧基-2-{[[2-(吡啶-2-基)乙基亚氨基-κN]甲基}苯酚-κO)双(二甲基亚砜)锰(III)高氯酸盐甲醇0.774-溶剂化物

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摘要

The title compound, [Mn(C16H17N2O3)2(C2H6OS)2]ClO4·0.774CH3OH, comprises a central octa­hedrally coordinated MnIII cation, with two bidentate Schiff base ligands occupying the equatorial positions and two dimethyl sulfoxide (DMSO) ligands occupying the axial positions. There are two independant cations in the asymmetric unit, with the MnIII atoms of both cations being positioned on crystallographic centers of inversion. The perchlorate anion is disordered over two equivalent conformations, with occupancies of 0.744 (3) and 0.226 (3). In addition, there is a methanol solvent mol­ecule in the crystal lattice that is too close to the minor component of the perchlorate anion to be present simultaneously and thus it was refined to have the same occupancy as the major component of this anion. There is a Jahn–Teller distortion which results in Mn—ODMSO axial bond lengths of 2.2365 (12) and 2.2368 (12) Å in the two cations. In the crystal, inter­molecular π–π stacking between the non-coordinating pyridine rings of each cation is observed. This π–π stacking, along with extensive O—H⋯O hydrogen bonding and C—H⋯O inter­actions, link the components into a complex three-dimensional array.
机译:标题化合物[Mn(C16H17N2O3)2(C2H6OS)2] ClO4·0.774CH3OH,包含中心八面体配位的MnIII阳离子,两个二齿席夫碱配体占据赤道位置,两个二甲基亚砜(DMSO)配体占据轴向位置。在不对称单元中有两个独立的阳离子,两个阳离子的MnIII原子都位于反转的晶体学中心。高氯酸根阴离子在两个等价构象上是无序的,占空度为0.744(3)和0.226(3)。另外,在晶格中有一个甲醇溶剂分子太靠近高氯酸根阴离子的次要组分而不能同时存在,因此它被精制以具有与该阴离子的主要组分相同的占有率。有一个Jahn-Teller畸变,导致两个阳离子中的Mn-ODMSO轴向键长分别为2.2365(12)和2.2368(12)Å。在晶体中,观察到每个阳离子的非配位吡啶环之间的分子间π-π堆积。这种π-π堆积,以及广泛的O-H⋯O氢键和C-H⋯O相互作用,将各组分连接成一个复杂的三维阵列。

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