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Aqua-bis(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olato)zinc(II) monohydrate.

ABSTRACT: The crystal structure of the title compound, [Zn(C(9)H(7)N(2)O(2))(2)(H(2)O)]·H(2)O, involves discrete mononuclear complex mol-ecules. The special positions on the rotation twofold axis are occupied by Zn(II) and O atoms of the coordinated and uncoordinated water mol-ecules. The coordination around the Zn(II) atom can be described as transitional from trigonal-bipyramidal to square-pyramidal. The two chelating 2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olate ligands and the coordin-ated water mol-ecule form the Zn coordination. O-H⋯O hydrogen bonds between the coordinated water mol-ecule and the ligand and between the uncoordinated water mol-ecule and the ligand dominate the crystal packing.

SUBMITTER: Wei YF

PROVIDER: S-EPMC2967923 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Aqua-bis(2,3-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-olato)nickel(II).

Project description:In the crystal structure of the mononuclear title complex, [Ni(C(10)H(9)N(2)O(2))(2)(H(2)O)], the Ni(II) ion is five-coordinated in a distorted square-pyramidal geometry by two N atoms and two O atoms from 2,3-dimethyl-4-oxopyrido[1,2-a]pyrimidin-9-olate ligands and one O atom from a water mol-ecule. O-H?O hydrogen bonds between the coordinated water mol-ecule and the ligand connect adjacent mol-ecules, forming a ribbon parallel to the b axis.

| S-EPMC2980000 | biostudies-literature

Diaqua-bis[3-(2-hydroxy-ethyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olato-?N,O]manganese(II).

Project description:The title compound, [Mn(C(11)H(11)N(2)O(3))(2)(H(2)O)(2)], consists of discrete mononuclear complex mol-ecules. The Mn(II) atom is located on an inversion center and coordinated by two N atoms and two O atoms, each pair in a trans mode, from two 3-(2-hydroxy-ethyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olate ligands and by two water mol-ecules. The coordination geometry around the Mn(II) atom is slightly distorted octa-hedral. Mol-ecules are linked by O-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC2961442 | biostudies-literature

Aqua-{6,6'-dieth-oxy-2,2'-[ethane-1,2-diyl-bis(nitrilo-methanylyl-idene)]diphen-olato}zinc.

Project description:The mononuclear zinc title complex, [Zn(C(20)H(22)N(2)O(4))(H(2)O)], was obtained by the reaction of 3-eth-oxy-salicyl-aldehyde, ethane-1,2-diamine, and zinc acetate in methanol. The Zn atom is five-coordinated by two phenolate O and two imine N atoms of the tetradentate Schiff base ligand and by one water O atom, forming a square-pyramidal geometry. In the crystal, pairs of mol-ecules are linked via inter-molecular O-H⋯O hydrogen bonds, forming dimers.

| S-EPMC3200652 | biostudies-literature

Bis[μ-3-(2-hydroxy-ethyl)-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-olato-κN,O:O]bis[aquachloridocopper(II)].

Project description:In the dinuclear centrosymmetric copper(II) title compound, [Cu(2)(C(11)H(11)N(2)O(2))(2)Cl(2)(H(2)O)(2)], each Cu(II) ion has a slightly distorted trigonal-bipyramidal geometry and is coordinated by one N and one O atom from one 3-(2-hydroxy-ethyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olate ligand, another O atom from the second ligand, one water mol-ecule and one Cl atom. The crystal structure involves inter-molecular C-H⋯Cl, O-H⋯Cl and O-H⋯O hydrogen bonds.

| S-EPMC2959477 | biostudies-literature

Aqua-bis(3'-hydr-oxy-2,2'-bipyridine-3-olato-?N,N')zinc(II).

Project description:In the title complex, [Zn(C(10)H(7)N(2)O(2))(2)(H(2)O)], the Zn(II) ion and water O atom are located on a crystallographic twofold rotation axis and the metal atom assumes a distorted trigonal-bipyramidal ZnN(4)O coordination geometry. An intra-molecular O-H?O hydrogen bond occurs within the ligand and inter-molecular O-H?O hydrogen bonds involving the water mol-ecule result in a sheet structure in the crystal structure. In addition, a short C-O?? contact between the O atom of the deprotonated hydroxyl group and a nearby pyridine ring [O?Cg = 3.977?(2)?Å, where Cg is the centroid of the pyridine ring] is observed.

| S-EPMC2960646 | biostudies-literature

Bis(isonicotinamide-κN)bis-[4-(methyl-amino)benzoato]zinc(II) monohydrate.

Project description:In the title Zn(II) complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)]·H(2)O, the Zn atom is coordinated by two 4-methyl-amino-benzoate (MAB) and two isonicotinamide (INA) ligands in a distorted trigonal-bipyramidal geometry; one of the MAB ions acts as a bidentate ligand while the other MAB and the two INA are monodentate ligands. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 8.52 (22) and 5.10 (14)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonding links the mol-ecules into a supra-molecular structure. Weak inter-molecular C-H⋯O inter-actions are also present.

| S-EPMC2970957 | biostudies-literature

Bis(2-amino-4-methyl-pyrimidin-1-ium) hexa-aqua-cobalt(II) disulfate dihydrate.

Project description:In the title hydrated mixed-cation salt, (C(5)H(8)N(3))(2)[Co(H(2)O)(6)](SO(4))(2)·2H(2)O, the complete octa-hedral hexa-aqua complex cation is generated by crystallographic inversion symmetry. In the crystal, the components are linked by O-H?O and N-H?O hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R(2) (2)(8) loops. These, together with ?-? inter-actions between centrosymmetrically related pyrimidinium cations [centroid-centroid separation = 3.5460?(8)?Å], lead to the formation of a three-dimensional network.

| S-EPMC3569216 | biostudies-literature

Aqua-bis(5-methyl-pyrazine-2-carboxyl-ato)zinc(II) trihydrate.

Project description:In the title compound, [Zn(C(6)H(5)N(2)O(2))(2)(H(2)O)]·3H(2)O, the Zn(II) centre is five-coordinated by two O,N-bidentate Schiff base ligands and one O atom from a water mol-ecule in a slightly distorted square-pyramidal geometry. In the crystal, the complex and uncoordinated water mol-ecules are linked by O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2969856 | biostudies-literature

Tetra-aqua-bis(2-oxo-1,2-dihydro-pyridine-5-sulfonato-?O)zinc(II).

Project description:The metal atom in the title compound, [Zn(C(5)H(4)NO(4)S)(2)(H(2)O)(4)], lies on a center of inversion and is linked to the anionic ligand through the carbonyl O atom. In the crystal structure, the 2-oxo-1,2-dihydro-pyridine-5-sulfon-ate ligand inter-acts with other mol-ecules through N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network structure.

| S-EPMC2971040 | biostudies-literature

Bis(?-4-methyl-benzoato-?O:O')bis-[aqua-(4-methyl-benzoato-?O,O')zinc(II)]-bis-(?-4-methyl-benzoato-?O:O')bis-[(4-methyl-benzoato-?O)(nicotinamide-?N)zinc(II)]-water (1/1/2).

Project description:The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water mol-ecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each Zn cation is chelated by a 4-methyl-benzoate (PMB) anion and coordinated by a water mol-ecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], each Zn(II) cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetra-hedral geometry. Weak intra-mol-ecular ?-? stacking between adjacent benzene rings is observed in complex B, the centroid-centroid distance being 3.710?(2)?Å. Extensive O-H?O and N-H?O hydrogen bonding and weak C-H?O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%.

| S-EPMC3006769 | biostudies-literature

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