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The 1:1 cocrystal of rac-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid and 2-amino-benzothia-zole.

ABSTRACT: In the crystal structure of the title compound, rac-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid-2-amino-benzo-thia-zole (1/1), C(8)H(10)O(5)·C(7)H(6)N(2)S, mol-ecules of each component are linked into centrosymmetric dimers by inter-molecular N-H?O hydrogen bonds. These dimers are connected by O-H?O hydrogen bonds into a chain along the b axis. In addition, ?-? inter-actions between aromatic heterocycles occur [centroid-centroid distance of 3.4709?Å and inter-planar spacing of 3.4374?Å between symmetry-related benzothia-zole ring systems.

SUBMITTER: Wang YY

PROVIDER: S-EPMC2962073 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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The 1:1 cocrystal of rac-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid and 2-amino-benzothia-zole.

Wang Yun-Yun YY Hu Rui-Ding RD Wang Yan-Jun YJ

Acta crystallographica. Section E, Structure reports online 20080709 Pt 8

In the crystal structure of the title compound, rac-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid-2-amino-benzo-thia-zole (1/1), C(8)H(10)O(5)·C(7)H(6)N(2)S, mol-ecules of each component are linked into centrosymmetric dimers by inter-molecular N-H⋯O hydrogen bonds. These dimers are connected by O-H⋯O hydrogen bonds into a chain along the b axis. In addition, π-π inter-actions between aromatic heterocycles occur [centroid-centroid distance of 3.4709 Å and inter-planar spacing of 3.4374 Å bet ...[more]

PMID: 21203157

Similar Datasets

rac-7-Oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid-2-amino-1,3,4-thia-diazole-water (1/1/1).

Project description:The title compound, C(8)H(10)O(5)·C(2)H(3)N(3)S·H(2)O, was synthesized by the reaction of 2-amino-1,3,4-thia-diazole with norcantharidin. The crystal structure is stabilized by N-H?O, N-H?N, O-H?O and O-H?N hydrogen bonds. In addition, weak ?-? inter-actions are observed between symmetry-related thia-diazole ring systems [centroid-centroid distance = 3.9110?(3)?Å, inter-planar spacing = 3.4845?Å].

| S-EPMC2969213 | biostudies-literature

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

Project description: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.

| S-EPMC3379140 | biostudies-literature

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

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

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

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

catena-Poly[[diaqua-nickel(II)]-?-7-oxabicyclo-[2.2.1]heptane-2,3-di-carboxyl-ato].

Project description:In the crystal structure of the title compound, [Ni(C(8)H(8)O(5))(H(2)O)(2)](n), the Ni(II) cation is in a Jahn-Teller-distorted octahedral coordination environment binding to two O atoms from water molecules, the bridging O atom of the bicycloheptane unit, two carboxylate O atoms from different carboxylate groups and one carboxylate O atom from a symmetry-related bridging ligand. The crystal structure is made up from layers propagating parallel to the bc plane.

| S-EPMC2969288 | 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

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

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