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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O containing MnO6+1 capped trigonal prisms and [Cu(Hspar)2](bdc)·2H2O containing CuO4 squares (Hspar = sparfloxacin and bdc = benzene-1,4-di-carboxyl-ate)
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Crystal structures of [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O containing MnO6+1 capped trigonal prisms and [Cu(Hspar)2](bdc)·2H2O containing CuO4 squares (Hspar = sparfloxacin and bdc = benzene-1,4-di-carboxyl-ate)

机译：含[Mn（bdc）（Hspar）2（H2O）0.25]·2H2O的晶体结构，含MnO6 + 1盖了三棱柱，而[Cu（Hspar）2]（bdc）·2H2O含CuO4正方形（Hspar =司巴沙星，bdc =苯） -1,4-二羧酸酯）

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The syntheses and crystal structures of 0.25-aqua-(benzene-1,4-di-carboxyl-ato-κ2O,O′)bis-(sparfloxacin-κ2O,O′)manganese(II) dihydrate, [Mn(C8H4O4)(C19H22F2N4O3)2(H2O)0.25]·2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O, (I), and bis-(sparfloxacin-κ2O,O′)copper(II) benzene-1,4-di-carboxyl-ate dihydrate, [Cu(C19H22F2N4O3)2](C8H4O4)·2H2O or [Cu(Hspar)2](bdc)·2H2O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-di-carboxyl-ate). The Mn2+ ion in (I) is coordinated by two O,O′-bidentate Hspar neutral mol-ecules (which exist as zwitterions) and an O,O′-bidentate bdc dianion to generate a distorted MnO6 trigonal prism. A very long bond [2.580?(12)??] from the Mn2+ ion to a 0.25-occupied water mol-ecule projects through a square face of the prism. In (II), the Cu2+ ion lies on a crystallographic inversion centre and a CuO4 square-planar geometry arises from its coordination by two O,O′-bidentate Hspar mol-ecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intra-molecular N—H?O hydrogen bonds, which close S(6) rings. In the crystals of both (I) and (II), the components are linked by N—H?O, O—H?O and C—H?O hydrogen bonds, generating three-dimensional networks.
机译：0.25-水-（苯-1,4-二羧基-α-κ2O，O'）双-（司帕沙星-κ2O，O'）二水合锰（II），[Mn（C8H4O4）（ C19H22F2N4O3）2（H2O）0.25]·2H2O或[Mn（bdc）（Hspar）2（H2O）0.25]·2H2O，（I）和双-（sparfloxacin-κ2O，O'）铜（II）苯-1报道了[4-Cu（C19H22F2N4O3）2] [C（C19H22F2N4O3）2] [C8H4O4]·2H2O或[Cu（Hspar] 2]（bdc）·2H2O（II）（Hspar = sparfloxacin和bdc =苯-1,4-二羧酸酯）。 （I）中的Mn2 +离子由两个O，O'形的Hspar中性分子（以两性离子形式存在）和O，O'形的bdc二价阴离子配位，生成扭曲的MnO6三角棱镜。从Mn2 +离子到占据0.25的水分子的非常长的键[2.580？（12）??]穿过棱镜的方形表面。在（II）中，Cu2 +离子位于晶体反转中心，CuO4的正方形平面几何结构是由两个O，O'状的Hspar mol-ecule配位而形成的。 bdc二价阴离子充当阳离子络合物的抗衡离子，并且不与金属离子键合。 （I）和（II）中的Hspar配体具有分子内NH 3 O氢键，该氢键封闭S（6）环。在（I）和（II）的晶体中，各组分通过NH 3 O，OH 2 O和CH 2 O氢键连接，产生三维网络。

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