trans-Tetraaquabis(pyridazine-4-carboxylato-κO)magnesium(II) dihydrate (original) (raw)
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trans-Diaquabis(pyridazine-3-carboxylato-κ2N,O)magnesium(II) dihydrate
Acta Crystallographica Section E Structure Reports Online, 2005
The title compound, [Mg(C 5 H 3 N 2 O 2) 2 (H 2 O) 2 ]Á2H 2 O, contains centrosymmetric neutral complex molecules. The pyridazine-3-carboxylate ligands bond in an N,O-bidentate mode and the octahedral Mg coordination is completed by two trans water molecules. There are also two non-coordinated water molecules. O-HÁ Á ÁO and O-HÁ Á ÁN hydrogen bonds are present, resulting in a three-dimensional network. Comment The title compound, (I), is isostructural with the analogous complexes of manganese (Ardivinata et al., 1989) and zinc (Gryz et al., 2003) with the same ligands.
Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ido)magnesium
Acta Crystallographica Section E Crystallographic Communications, 2015
The title complex, [Mg(C7H7N4O2)2(H2O)4], lies across an inversion centre and the MgIIatom is coordinated in a slightly distorted octahedral environment by four aqua ligands in the equatorial sites and two 1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ide ligands, through imidazole ring N atoms, in the axial sites. An intramolecular O—H...O hydrogen bond forms anS(7) graph-set motif. In the crystal, O—H...O and O—H...N hydrogen bonds link complex molecules forming a three-dimensional network incorporatingR42(8) andR22(18) graph-set motifs.
mer- Triaqua(1,10-phenanthroline-κ 2 N , N ′)(sulfato-κ O )magnesium(II)
Acta Crystallographica Section E Structure Reports Online, 2008
Phenanthroline (phen) is one of the most commonly used aromatic N,N' chelating ligands and has in form of several functionalized derivatives been widely used in the construction of supramolecular architectures. Copper(II), zinc(II) and cadmium(II) derivatives of phen have been reported (Xu et al., 2003; Zhang et al. 1999). As a continuation of these studies, we now report the crystal structure of the title complex, (I). As illustrated in Fig. 1, the Mg(II) ion is surrounded by two N atoms from the phen ligand and four O atoms from three meridionally arranged H 2 O molecules and one sulfato group to form distorted MgN 2 O 4 octahedron. The Mg-O and Mg-N bond lengths are in the noramal range of 2.033 (1)-2.086 (1) and 2.210 (1)-2.234 (2) Å, respectively. The units are connected by O-H•••O hydrogen bonds to produce a complex three dimensional supramolecular network, shown in figure 2. Experimental 1,10-phenanthroline (0.05 g, 0.25 mmol) was dissolved in a water-DMF mixture (1:1 v/v, 50 ml), and MgSO 4 × 7 H 2 O (0.06 g, 0.25 mmol) was added to the solution. The resulting mixture was stirred at room temperature for 12 h and filtered. Colorless single crystals of (I) were obtained from the solution after several weeks. Refinement The carbon-bound H atoms were positioned geometrically (C-H = 0.93-0.97 Å) and refined as riding with U iso (H) = 1.2U eq (C). The O-bound H atoms were located in a difference map and refined with a distance restraint of 0.85 (1) Å and the constraint U iso (H) = 1.5U eq (O).
Bis[hexaquamagnesium(II)] pyrazine-2,3,5,6-tetracarboxylate tetrahydrate
Acta Crystallographica Section E Structure Reports Online, 2005
Atom-labelling scheme for the title compound. Non-H atoms are shown as 50% probability displacement ellipsoids. [Symmetry code: (i) Àx + 2, Ày, Àz.] metal-organic papers m1922 Gryz Michał et al. [Mg(H 2 O) 6 ] 2 (C 8 N 2 O 8).4H 2 O
Bis(μ-pyridazine-3-carboxylato)-κ3N,O:O;κ3O:N,O-bis[triaquacalcium(II)]
Acta Crystallographica Section E Structure Reports Online, 2007
The structure of the title compound, [Ca 2 (C 5 H 3-N 2 O 2) 2 (H 2 O) 6 ], is composed of centrosymmetric dimeric molecules, in which the Ca II ions are bridged by two carboxylate O atoms of bidentate ligands. Each Ca II ion is coordinated by two carboxylate O atoms, a hetero-ring N atom and three water O atoms. The coordination number of each Ca II ion is eight, forming a distorted decahedron. Coordinated water molecules act as donors linking adjacent dimers into a three-dimensional hydrogen-bonded network. Intra-dimer hydrogen bonds are also present. Related literature We have recently determined the structure of the free ligand (Gryz et al., 2003) and a related structure has also been reported (Ptasiewicz-Bąk et al., 1998). The bond lengths and angles in the title compound are typical (Einspahr & Bugg, 1981). Experimental Crystal data [Ca 2 (C 5 H 3 N 2 O 2) 2 (H 2 O) 6 ] M r = 680.63 Monoclinic, P2 1 =n a = 9.1730 (18) Å b = 10.539 (2) Å c = 14.984 (3) Å = 99.43 (3) V = 1429.0 (5) Å 3 Z = 2 Mo K radiation = 0.48 mm À1 T = 293 (2) K 0.54 Â 0.22 Â 0.18 mm Data collection Kuma KM4 four-circle diffractometer Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2000) T min = 0.877, T max = 0.901 4432 measured reflections 4182 independent reflections 3154 reflections with I > 2(I) R int = 0.017 3 standard reflections every 200 reflections intensity decay: 2.5% Refinement R[F 2 > 2(F 2)] = 0.033 wR(F 2) = 0.102 S = 0.98 4182 reflections 247 parameters Only H-atom coordinates refined Á max = 0.35 e Å À3 Á min = À0.48 e Å À3 Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH2377).
Synthesis, spectroscopy and supramolecular structures of two magnesium 4-nitrobenzoate complexes
Journal of Chemical Sciences, 2007
The aqueous reaction of [Mg(H 2 O) 6 ]Cl 2 with the in situ generated sodium salt of 4-nitrobenzoic acid (4-nbaH) and N-methylimidazole (N-MeIm) results in the formation of the dinuclear complex [Mg(H 2 O)(N-MeIm) 2 (4-nba) 2 ] 2 1 (4-nba = 4-nitro benzoate), while the direct reaction of [Mg(H 2 O) 6 ]Cl 2 with sodium 4-nba leads to the formation of the mononuclear complex, [Mg(H 2 O) 6 ](4-nba) 2 ⋅2H 2 O 2. In the centrosymmetric dimer 1, each Mg atom is coordinated to an aquo ligand, two monodentate N-MeIm ligands and a monodentate 4-nba ligand. The second 4-nba ligand functions as a bridging bidentate ligand, linking the metal centers and completes the hexacoordination around each Mg(II). The dimeric molecules of 1 are linked into a one-dimensional chain along b with the aid of intra-as well as intermolecular H-bonding interactions between the coordinated water and the free oxygen atom of the monodentate 4-nba ligand. In the mononuclear complex [Mg(H 2 O) 6 ](4-nba) 2 ⋅2H 2 O 2, the Mg(II) is located on an inversion center and its structure consists of an octahedral [Mg(H 2 O) 6 ] 2+ dication, a free uncoordinated 4nba anion and a lattice water molecule. One of the H atoms attached of the lattice water is disordered over two positions. The hexaaquomagnesium(II) dication, the 4-nba anion and the lattice water molecule are linked by intra-and intermolecular H-bonding interactions resulting in the formation of alternating layers of [Mg(H 2 O) 6 ] 2+ dications and 4-nba anions in the crystallographic bc plane. The lattice water molecules are situated between the cations, while the 4-nba anions are arranged antiparallel to each other along b.
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