Abstract
In the title compound, {[Co(C10H8O6)(C16H20N4)(H2O)2]·5H2O}n, octahedrally coordinated CoII ions on crystallographic inversion centres are bound by trans O atoms belonging to two hydroquinone-O,O′-diacetate (hqda) anions {systematic name: 2,2′-[(1,4-phenylene)bis(oxy)]diacetate}, two trans-pyridine N-donor atoms from two bis(pyridin-4-ylmethyl)piperazine (4-bpmp) ligands, and two trans aqua ligands. The exobidentate hqda and 4-bpmp ligands form [Co(hqda)(4-bpmp)(H2O)2]n coordination polymer layers parallel to (110) that are anchored into the full crystal structure by O—H⋯O hydrogen bonding between aqua ligands and ligated hqda O atoms. Disordered water molecules of crystallization occupy incipient channels along [100]. However, these could not modeled reliably and so they were treated with SQUEEZE in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]; the crystal data take the presence of these molecules into account. The crystal under investigation was twinned by non-merohedry, the twin fraction of the components being 53.3% and 46.7%. Only data from the major twin component were used in the refinement.
Highlights
In the title compound, {[Co(C10H8O6)(C16H20N4)(H2O)2]5H2O}n, octahedrally coordinated CoII ions on crystallographic inversion centres are bound by trans O atoms belonging to two hydroquinone-O,O0 -diacetate anions
[Co(hqda)(4-bpmp)(H2O)2]n coordination polymer layers parallel to (110) that are anchored into the full crystal structure by O—H O hydrogen bonding between aqua ligands and ligated hqda O atoms
Disordered water molecules of crystallization occupy incipient channels along [100]. These could not modeled reliably and so they were treated with SQUEEZE in PLATON [Spek (2009)
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.012 Å; some non-H atoms missing; R factor = 0.093; wR factor = 0.228; data-to-parameter ratio =. {systematic name: 2,20 -[(1,4-phenylene)bis(oxy)]diacetate}, two trans-pyridine N-donor atoms from two bis(pyridin-4ylmethyl)piperazine (4-bpmp) ligands, and two trans aqua ligands. The exobidentate hqda and 4-bpmp ligands form [Co(hqda)(4-bpmp)(H2O)2]n coordination polymer layers parallel to (110) that are anchored into the full crystal structure by O—H O hydrogen bonding between aqua ligands and ligated hqda O atoms. Disordered water molecules of crystallization occupy incipient channels along [100]. These could not modeled reliably and so they were treated with SQUEEZE in PLATON [Spek (2009). Data from the major twin component were used in the refinement
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