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-dicarboxylate)

Zhe An, Jing Gao, William T. A. Harrison

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Abstract

The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-
2 O,O0 )bis(sparfloxacin-2 O,O0 )manganese(II) dihydrate, [Mn(C8H4O4)-
(C19H22F2N4O3)2(H2O)0.25]2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]2H2O, (I),
and bis(sparfloxacin-2 O,O0 )copper(II) benzene-1,4-dicarboxylate dihydrate,
[Cu(C19H22F2N4O3)2](C8H4O4)2H2O or [Cu(Hspar)2](bdc)2H2O, (II), are
reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The
Mn2+ ion in (I) is coordinated by two O,O0 -bidentate Hspar neutral molecules
(which exist as zwitterions) and an O,O0 -bidentate bdc dianion to generate a
distorted MnO6 trigonal prism. A very long bond [2.580 (12) A˚ ] from the Mn2+
ion to a 0.25-occupied water molecule 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,O0 -bidentate
Hspar molecules. 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 intramolecular N—HO hydrogen bonds, which close S(6) rings. In the
crystals of both (I) and (II), the components are linked by N—HO, O— HO and C—HO hydrogen bonds, generating three-dimensional networks.
Original languageEnglish
Pages (from-to)96-101
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume72
Issue number1
DOIs
Publication statusPublished - 1 Jan 2016

Keywords

  • crystal structure
  • sparfloxacin
  • trigonal prismatic geometry
  • manganese
  • copper
  • molecular salt

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