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Bis(2-amino-1,3-benzothia-zol-3-ium) bis-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmate hexa-hydrate.

ABSTRACT: In the structure of the title complex, (C(7)H(7)N(2)S)(2)[Cd(C(8)H(8)O(5))(2)]·6H(2)O, the Cd(II) atom is located on an inversion center and is O,O',O''-chelated by two symmetry-related 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ate ligands in a distorted octa-hedral geometry. The 2-amino-benzothia-zolium cation links with the Cd complex anion via N-H?O hydrogen bonding. Extensive O-H?O and N-H?O hydrogen bonds involving lattice water mol-ecules occur in the crystal structure.

SUBMITTER: Zhang F

PROVIDER: S-EPMC3379140 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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Bis(2-amino-1,3-benzothia-zol-3-ium) bis-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmate hexa-hydrate.

Zhang Fan F Lin Qiu-Yue QY Chen Ling-Ling LL Ke Jun-Gang JG

Acta crystallographica. Section E, Structure reports online 20120526 Pt 6

In the structure of the title complex, (C(7)H(7)N(2)S)(2)[Cd(C(8)H(8)O(5))(2)]·6H(2)O, the Cd(II) atom is located on an inversion center and is O,O',O''-chelated by two symmetry-related 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ate ligands in a distorted octa-hedral geometry. The 2-amino-benzothia-zolium cation links with the Cd complex anion via N-H⋯O hydrogen bonding. Extensive O-H⋯O and N-H⋯O hydrogen bonds involving lattice water mol-ecules occur in the crystal structure. ...[more]

PMID: 22719361

Similar Datasets

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

Project description:In the title hydrated mol-ecular salt, (C(7)H(7)N(2)S)(2)[Zn(C(8)H(8)O(5))(2)]·6H(2)O, which is isotypic with its Mn(II), Co(II) and Ni(II) analogues, the Zn(2+) ion lies on a crystallographic inversion centre and a distorted ZnO(6) octa-hedral coordination geometry arises from the two doubly deprotonated O,O',O''-tridentate ligands. In the crystal, the components are linked by N-H?O(a), N-H?O(w), O(w)-H?O(a) and O(w)-H?O(w) hydrogen bonds (w = water and a = anion).

| S-EPMC3344404 | biostudies-literature

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

Project description:In the title compound, (C(7)H(7)N(2)S)(2)[Ni(C(8)H(8)O(5))(2)]·6H(2)O, the Ni(II) cation is located on an inversion center and is O,O',O''-chelated by two symmetry-related 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ate anions in a distorted octa-hedral geometry. The 2-amino-benzothia-zol-3-ium cation links with the Ni complex anion via N-H?O hydrogen bonding. Extensive O-H?O and N-H?O hydrogen bonds involving the lattice water mol-ecules also occur in the crystal structure.

| S-EPMC3344403 | biostudies-other

Bis(2-amino-3H-benzothia-zolium) bis-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cobaltate(II) hexa-hydrate.

Project description:In the crystal structure of the title salt, (C(7)H(7)N(2)S)(2)[Co(C(8)H(8)O(5))(2)]·6H(2)O, the heterocyclic N atom of the 2-amino-benzothia-zole mol-ecule is protonated. The Co(II) atom is situated on an inversion centre and exhibits a slightly distorted octa-hedral CoO(6) coordination defined by the bridging O atoms of the bicyclo-heptane unit and four carboxyl-ate O atoms of two symmetry-related and fully deprotonated ligands. The crystal packing is stabilized by N-H?O hydrogen bonds between the cations and anions and by O-H?O hydrogen bonds including the crystal water mol-ecules.

| S-EPMC3006894 | biostudies-other

Poly[bis-(1H-imidazole)(?(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium(II)].

Project description:The title compound, [Cd(C(8)H(8)O(5))(C(3)H(4)N(2))(2)](n), was synthesized by the reaction of 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic anhydride, cadmium acetate and imidazole. The Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal configuration by five O atoms from carboxyl-ate groups of three 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylate ligands and two N atoms from two imidazole ligands. The crystal structure is stabilized by N-H?O and C-H?O hydrogen-bonding and C-H?? inter-actions.

| S-EPMC2969310 | biostudies-literature

Bis(2-amino-3H-benzothia-zolium) bis-(7-oxabicyclo-[2.2.1]heptane-2,3-di-carbox-yl-ato)manganate(II) hexa-hydrate.

Project description:In the crystal structure of the title salt, (C(7)H(7)N(2)S)(2)[Mn(C(8)H(8)O(5))(2)]·6H(2)O, the heterocyclic N atom of the 2-amino-benzothia-zole mol-ecule is protonated. The Mn(II) atom (site symmetry ) has a slightly distorted octa-hedral MnO(6) coordination defined by the bridging O atoms of the bicyclo-heptane unit and four carboxyl-ate O atoms of two symmetry-related and fully deprotonated ligands. The crystal packing is stabilized by N-H?O hydrogen bonds between the cations and anions and by O-H?O hydrogen bonds including the crystal water mol-ecules.

| S-EPMC3007082 | biostudies-other

Poly[bis-(1H-imidazole)bis-(?(2)-1H-imidazolido)bis-(?(2)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)trizinc(II)].

Project description:The title polymer, [Zn(3)(C(8)H(8)O(5))(2)(C(3)H(3)N(2))(2)(C(3)H(4)N(2))(2)](n), was formed by the reaction of zinc acetate with imidazole and 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic anhydride (norcan-tharidine). One of the two crystallographically unique Zn(II) atoms is four-coordinated by three N atoms of three imidazole ligands, two of which are deprotonated, and by one carboxyl-ate O atom of the demethyl-cantharate anion. The second Zn(II) atom is situated on an inversion centre and is six-coordinated by the bridging O atoms of two symmetry-related demethyl-cantharate anions and by four carboxyl-ate O atoms of the corresponding carboxyl-ate groups. The polymeric crystal structure is additionally stabilized by N-H?O hydrogen bonding between the imidazole ligands and carboxyl-ate O atoms.

| S-EPMC2979651 | biostudies-literature

Tris(1H-imidazole-κN)(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-κO,O,O)cobalt(II) 3.35-hydrate.

Project description:In the crystal structure of the title compound, [Co(C(8)H(8)O(5))(C(3)H(4)N(2))(3)]·3.35H(2)O, the central Co(II) ion is in a slightly distorted octa-hedral environment, coordinated by the bridg-ing O atom from the bicyclo-[2.2.1]heptane ligand, by two carboxyl-ate O atoms from two different carboxyl-ate groups and by three N atoms from imidazole ligands. Uncoordinated water mol-ecules, some of them disordered, are present in the crystal structure. In the crystal structure, mol-ecules are linked by O-H⋯O, N-H⋯O and O-H⋯N hydrogen-bonding inter-actions.

| S-EPMC2977092 | biostudies-literature

catena-Poly[[diaqua-manganese(II)]-?-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato].

Project description:In the title polymer, [Mn(C(8)H(8)O(5))(H(2)O)(2)](n), the Mn(II) atom is in a distorted octa-hedral coordination mode, binding to the bridging O atom of the bicyclo-heptane unit, two O atoms from corresponding carboxyl-ate groups, one carboxyl-ate O atom from a symmetry-related bridging ligand and two water O atoms. This arrangement leads to the formation of polymeric chains propagating parallel to [001]. The crystal structure is stabilized by several O-H?O hydrogen-bonding inter-actions involving the coordinated water mol-ecules as donors and the carboxyl-ate O atoms as acceptors.

| S-EPMC2979419 | biostudies-literature

Poly[[(2,2'-bipyridine)(?(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium] monohydrate].

Project description:The title compound, {[Cd(C(8)H(8)O(5))(C(10)H(8)N(2))]·H(2)O}(n), was obtained by the reaction of cadmium acetate with 2,2'-bi-pyridine and 7-oxabicyclo-(2.2.1)heptane-2,3-dicarb-oxy-lic anhydride. The Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal configuration, defined by five O atoms from the carboxyl-ate groups of three 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato ligands and two N atoms from the 2,2'-bipyridine ligand. Two O atoms link two Cd(II) atoms, forming a dinuclear center: the Cd-O-Cd bridging angle is 110.19?(6)°. The polymeric structure extends along [100] and is linked by inter-molecular O-H?O hydrogen bonds involving the solvent water molecule. Extensive ?-? stacking exists between 2,2-bypiridine ligands along [010] with centroid-centroid distance of 3.650?(2)?Å

| S-EPMC3201414 | biostudies-literature

Triaqua-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-?O,O,O)cobalt(II) monohydrate.

Project description:The title complex, [Co(C(8)H(8)O(5))(H(2)O)(3)]·H(2)O, was synthesized by reaction of cobalt acetate with 7-oxabicyclo-[2.2.1]heptane-2,3-dicarb-oxy-lic anhydride (norcantharidin) in aqueous solution. In the mol-ecule, the Co(II) atom is six-coordinated in a distorted octa-hedral environment, binding to the bridging O atom of the bicyclo-heptane unit, to two O atoms from monodentate carboxyl-ate groups and to three water O atoms. The crystal structure is stabilized by several O-H?O hydrogen-bonding inter-actions involving both the coordinated and uncoordinated water mol-ecules as donors and the carboxyl-ate O atoms of neighbouring mol-ecules as acceptors.

| S-EPMC3212185 | biostudies-literature

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