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catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3) O:O,O′;1:1′′κ(3) O,O′:O] 2,2′-bipyridine hemisolvate]
In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluorobenzoate ligands and two water molecules, resulting in a distorted CaO(8) square-antiprismatic coordination environment. The 2-fluorobenzoate ligand br...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254322/ https://www.ncbi.nlm.nih.gov/pubmed/22259354 http://dx.doi.org/10.1107/S1600536811053311 |
Sumario: | In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluorobenzoate ligands and two water molecules, resulting in a distorted CaO(8) square-antiprismatic coordination environment. The 2-fluorobenzoate ligand bridges two symmetry-related Ca(II) atoms, giving rise to a chain structure extending along [100]. The distances between the Ca atom and its two symmetry-related counterparts are 4.054 (2) and 4.106 (2) Å. The polymeric chains are connected by classical O—H⋯N hydrogen bonds into a layer structure parallel to (010). The layers are connected by non-classical C—H⋯F hydrogen bonds into a three-dimensional supramolecular structure. O—H⋯O and C—H⋯O interactions also occur. The uncoordinated 2,2′-bipyridine molecule is located on a centre of symmetry at the mid-point of the bond between the two heterocycles. One of the two benzene rings is disordered over two sites with occupancy factors of 0.60 and 0.40. |
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