Bis(2-amino-benzothia-zol-3-ium) bis-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-κ(3)O(2),O(3),O(7))zincate hexa-hydrate.

Fan Zhang,Qiu-Yue Lin,Jie Feng,Tian-Xi Lv

doi:10.1107/s1600536812017886

Fan Zhang, Qiu-Yue Lin + Show 2 more

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https://doi.org/10.1107/s1600536812017886

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Abstract

In the title hydrated molecular salt, (C7H7N2S)2[Zn(C8H8O5)2]·6H2O, which is isotypic with its MnII, CoII and NiII analogues, the Zn2+ ion lies on a crystallographic inversion centre and a distorted ZnO6 octahedral coordination geometry arises from the two doubly deprotonated O,O′,O′′-tridentate ligands. In the crystal, the components are linked by N—H⋯Oa, N—H⋯Ow, Ow—H⋯Oa and Ow—H⋯Ow hydrogen bonds (w = water and a = anion).

Highlights

In the title hydrated molecular salt, (C7H7N2S)2[Zn(C8H8O5)2]Á6H2O, which is isotypic with its MnII, CoII and NiII analogues, the Zn2+ ion lies on a crystallographic inversion centre and a distorted ZnO6 octahedral coordination geometry arises from the two doubly deprotonated O,O0,O00tridentate ligands
The components are linked by N—HÁ Á ÁOa, N—HÁ Á ÁOw, Ow—HÁ Á ÁOa and Ow—HÁ Á ÁOw hydrogen bonds (w = water and a = anion)
N1—H1A···O4ii N2—H2A···O3ii N2—H2B···O2Wiii O1W—H1WA···O4 O1W—H1WB···O2W O2W—H2WA···O2 O2W—H2WB···O3W O3W—H3WA···O1Wiii O3W—H3WB···O1Wiv. Symmetry codes: (ii) −x+1, −y, −z+1; (iii) −x+1, −y+1, −z+1; (iv) x−1, y, z

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.005 A; R factor = 0.047; wR factor = 0.087; data-to-parameter ratio = 12.9. In the title hydrated molecular salt, (C7H7N2S)2[Zn(C8H8O5)2]Á6H2O, which is isotypic with its MnII, CoII and NiII analogues, the Zn2+ ion lies on a crystallographic inversion centre and a distorted ZnO6 octahedral coordination geometry arises from the two doubly deprotonated O,O0,O00tridentate ligands. The components are linked by N—HÁ Á ÁOa, N—HÁ Á ÁOw, Ow—HÁ Á ÁOa and Ow—HÁ Á ÁOw hydrogen bonds (w = water and a = anion). Related literature For background to the applications of norcantharidin (systematic name: 7-oxabicyclo[2,2,1]heptane-2,3-dicarboxylic anhydride), see: Zeng & Lu (2006). For the isotypic MnII, CoII and NiII structures, see: Wang et al (2010a,b, 2012)

Bruker APEXII CCD diffractometer

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