The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four μ(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071 (2)-2.130 (2) Å. All adjacent O-Co-O angles are in the range 84.78 (6)-95.22 (6)° and opposite angles are 180.0°. Each μ-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are π-stacked, with centroid-centroid distances of 3.432 (4) Å.
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Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.
Acta Crystallogr E Crystallogr Commun
March 2023
Department of Chemistry, Howard University, 525 College Street NW, Washington DC 20059, USA.
The structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine are discussed. In 4-(4-nitro-phen-yl)piperazin-1-ium salicylate (CHNO ·CHO ), there are strong hydrogen bonds between cation and anion and the 4-nitro-phenyl substituent occupies an equatorial position in the piperazinium ring. The cation and anion are linked together by supra-molecular inter-actions [graph-set notation of hydrogen bonding (6) propagating in the -axis direction].
View Article and Find Full Text PDFThe structures of eleven (4-phen-yl)piperazinium salts containing organic anions.
Acta Crystallogr E Crystallogr Commun
October 2022
Department of Chemistry, Howard University, 525 College Street NW, Washington DC 20059, USA.
Eleven (4-phen-yl)piperazinium salts containing organic anions have been prepared and structurally characterized, namely, 4-phenyl-piperazin-1-ium 4-fluoro-benzoate monohydrate, CHN ·CHFO ·HO, ; 4-phenyl-piperazin-1-ium 4-bromo-benzoate monohydrate, CHN ·CHBrO ·HO, ; 4-phenyl-piperazin-1-ium 4-iodo-benzoate, CHN ·CHIO , ; 4-phenyl-piperazin-1-ium 4-nitro-benzoate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium 3,5-di-nitro-salicylate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium 3,5-di-nitro-benzoate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium picrate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium benzoate monohydrate, CHN ·CHO ·HO, ; 4-phenyl-piperazin-1-ium -toluene-sulfonate, CHN ·CHOS, ; 4-phenyl-piperazin-1-ium tartarate monohydrate, CHN ·CHO ·HO, ; and 4-phenyl-piperazin-1-ium fumarate, CHN ·CHO , . Compounds and - are all 1:1 salts with the acid proton transferred to the phenyl-piperaizine basic N atom (the secondary amine) with the exception of where there is disorder in the proton position with it being 68% attached to the base and 32% attached to the acid. Of the structures with similar stoichiometries only and are isomorphous.
View Article and Find Full Text PDFTwelve 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts containing organic anions: supra-molecular assembly in one, two and three dimensions.
Acta Crystallogr E Crystallogr Commun
October 2019
School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, UK.
Twelve 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts containing organic anions have been prepared and structurally characterized. The monohydrated benzoate, 4-fluoro-benzoate, 4-chloro-benzoate and 4-bromo-benzoate salts, CHNO·CHO ·HO (I), CHNO·CHFO ·HO (II), CHNO·CHClO ·HO (III), and CHNO·CHBrO ·HO (IV), respectively, are isomorphous and all exhibit disorder in the 4-meth-oxy-phenyl unit: the components are linked by N-H⋯O and O-H⋯O hydrogen bond to form chains of rings. The unsolvated 2-hy-droxy-benzoate, pyridine-3-carboxyl-ate and 2-hy-droxy-3,5-di-nitro-benzoate salts, CHNO·CHO (V), CHNO·CHNO (VI) and CHNO·CHNO (VII), respectively, are all fully ordered: the components of (V) are linked by multiple N-H⋯O hydrogen bonds to form a chain of rings; those of (VI) are linked into a three-dimensional framework by a combination of N-H⋯O, C-H⋯O and C-H⋯N hydrogen bonds and those of (VII), where the anion has a structure reminiscent of the picrate anion, are linked into a three-dimensional array by N-H⋯O and C-H⋯O hydrogen bonds.
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Acta Crystallogr Sect E Struct Rep Online
July 2011
In the title Cu(II) complex, [Cu(C(7)H(4)FO(2))(2)(C(7)H(5)FO(2))(C(6)H(6)N(2)O)(2)], the Cu(II) cation is coordinated by two N atoms of two nicotinamide (NA) ligands, and by four O atoms from two 4-fluoro-benzoate (PFB) anions and one 4-fluoro-benzoic acid (PFBA) mol-ecule, in a distorted octa-hedral geometry. In the mol-ecule, two Cu-O bond lengths are significantly longer than the other two. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.
View Article and Find Full Text PDFPoly[[diaqua-manganese(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].
Acta Crystallogr Sect E Struct Rep Online
July 2011
In the crystal structure of the title complex, [Mn(C(7)H(4)FO(2))(2)(H(2)O)(2)](n), the Mn(II) atom is located on an inversion centre. It is coordinated by two water mol-ecules in the apical directions and four 4-fluoro-benzoate (PFB) anions, bridging the symmetry related Mn atoms in the basal plane to form an infinite two-dimensional polymeric structure parallel to (100). The four O atoms of the PFB anions around the Mn(II) atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two O atoms of the water mol-ecules.
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