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)

• Main Authors: Zhe An, Jing Gao, William T. A. Harrison
• Format: Article
• Language: English
• Published: International Union of Crystallography 2016-01-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; sparfloxacin; trigonal prismatic geometry; manganese; copper; molecular salt
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S205698901502424X

The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-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-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,O′-bidentate Hspar neutral molecules (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) Å] 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,O′-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—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.