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[S-Allyl-4-(4-hy-droxy-2-oxidobenzyl-idene-?O)-1-(2-oxidobenzyl-idene-?O)isothio-semicarbazidato-?N,N](ethanol-?O)dioxido-uranium(VI) ethanol monosolvate.

ABSTRACT: In the title compound, [U(C(18)H(15)N(3)O(3)S)O(2)(C(2)H(5)OH)]·C(2)H(5)OH, the U(VI) ion is in a distorted penta-gonal-bipyramidal coordination geometry, with two oxide O atoms in axial sites. Two N and two O atoms of the tetra-dentate ligand and an O atom of an ethanol ligand form the equatorial plane. The dihedral angle between the mean planes of the two benzene rings is 34.8?(3)°. In the crystal, relatively strong O-H?O hydrogen bonds connect the complex and ethanol solvent mol-ecules into alternating centrosymmetric R(2) (2)(8) and R(4) (4)(16) ring motifs, forming chains along [100]. Weak inter-molecular C-H?O hydrogen bonds are also present.

SUBMITTER: Takjoo R

PROVIDER: S-EPMC3238725 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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[S-Allyl-4-(4-hy-droxy-2-oxidobenzyl-idene-κO)-1-(2-oxidobenzyl-idene-κO)isothio-semicarbazidato-κN,N](ethanol-κO)dioxido-uranium(VI) ethanol monosolvate.

Takjoo Reza R Dutkiewicz Grzegorz G Kubicki Maciej M

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

In the title compound, [U(C(18)H(15)N(3)O(3)S)O(2)(C(2)H(5)OH)]·C(2)H(5)OH, the U(VI) ion is in a distorted penta-gonal-bipyramidal coordination geometry, with two oxide O atoms in axial sites. Two N and two O atoms of the tetra-dentate ligand and an O atom of an ethanol ligand form the equatorial plane. The dihedral angle between the mean planes of the two benzene rings is 34.8 (3)°. In the crystal, relatively strong O-H⋯O hydrogen bonds connect the complex and ethanol solvent mol-ecules into a ...[more]

PMID: 22199602

Similar Datasets

{4-Bromo-2-[(2-{(ethyl-sulfan-yl)[(2-oxido-benzyl-idene-?O)amino-?N]methyl-idene}hydrazinyl-idene-?N (1))meth-yl]phenolato-?O}(ethanol-?O)dioxido-uranium(VI).

Project description:In the title complex, [U(C17H14BrN3O2S)O2(C2H5OH)], the U(VI) cation has a distorted penta-gonal-bipyramidal environment with the penta-gonal plane defined by two N and two O atoms of the tetra-dentate Schiff base ligand and the O atom of the ethanol mol-ecule. Two oxide O atoms occupy the axial positions. The azomethine C=N group and the Br atom are disordered over two positions in a 0.8356?(18):0.1644?(18) ratio. The ethyl-thiolyl group is disordered over three conformations in a 0.8356?(18):0.085?(6):0.079?(6) ratio, and the ethanol ligand is also disordered over three orientations in a 0.470?(16):0.277?(19):0.253?(18) ratio. In the crystal, mol-ecules form centrosymmetric dimers through hydrogen bonding between ethanol O-H donors and phenolate O-atom acceptors. Weak C-H?O inter-actions consolidate the crystal packing.

| S-EPMC3772406 | biostudies-literature

A new Mo Schiff base complex: methanol[N'-(3-meth-oxy-2-oxidobenzyl-idene)benzohydrazidato]dioxido-molybdenum(VI).

Project description:In the title benzil-idene Schiff base molybdenum(VI) complex, [Mo(C(15)H(12)N(2)O(3))O(2)(CH(3)OH)], the Mo(VI) ion is coordinated by two oxide O atoms and by two O atoms and one N atom of the tridentate N'-(3-meth-oxy-2-oxidobenzyl-idene)benzo-hydrazidate (L) Schiff base ligand. The methanol O atom completes the distorted octa-hedral configuration of the Mo(VI) atom. Strong O-H?N hydrogen bonds form a C(5) chain around a 2(1) screw axis. Weak C-H-O hydrogen bonds are also present.

| S-EPMC3152014 | biostudies-literature

[1-(2-Oxidobenzyl-idene)-4-phenyl-thio-semicarbazidato-?O,N,S](pyridine-?N)copper(II).

Project description:In the structure of the title compound, [Cu(C(14)H(11)N(3)OS)(C(5)H(5)N)], the Cu(II) atom exhibits a slightly distorted square-planar CuN(2)OS coordination polyhedron consisting of a phenyl O, an azomethine N and a thio-amide S atom from the tridentate thio-semicarbazonate dianion, and the N atom of a pyridine mol-ecule. The thio-semicarbazonate ligand exists in the thiol tautomeric form as an E isomer. Rotational disorder of the pyridine and phenyl rings in a 1:1 ratio of the respective components is observed. An extensive network of weak N-H?S, C-H?O, C-H?N and C-H?S hydrogen-bonding inter-actions consolidates the structure.

| S-EPMC2979479 | biostudies-literature

[1-(5-Bromo-2-oxidobenzyl-idene)thio-semicarbazidato-?(3)O,N(1),S](pyridine-?N)nickel(II).

Project description:The reaction of 5-bromo-salicyl-aldehyde thio-semicarbazone with nickel acetate tetra-hydrate and pyridine yielded the title compound, [Ni(C(8)H(6)BrN(3)OS)(C(5)H(5)N)]. The Ni(II) atom is four-coordinated in a square-planar environment by one deprotonated dianionic thio-semicarbazone ligand, acting in a tridentate chelating mode through N, O and S atoms forming two metalla-rings, and by one pyridine mol-ecule. The complex mol-ecules are linked into dimers by pairs of centrosym-metrical N-H?N inter-actions. In addition, mol-ecules are connected through inter-molecular Br?Br inter-actions [3.545?(1)?Å], forming chains along the b-axis direction.

| S-EPMC3435568 | biostudies-literature

cis-(Dimethyl sulfoxide-?O)[N'-(3-eth-oxy-2-oxidobenzyl-idene-?O)-2-hy-droxy-benzohydrazidato-?N',O]dioxido-molybdenum(VI).

Project description:The coordination geometry at the Mo(VI) atom in the title compound, [Mo(C(16)H(14)N(2)O(4))O(2)(C(2)H(6)OS)], is distorted octa-hedral. The phenolate O, imino N, oxide O from the enolized carbonyl group and one of the terminal O atoms form the equatorial plane; the axial positions are occupied by the other terminal O atom of the dioxidomolybdenum group and the donor O atom of DMSO. The O=Mo=O angle is 105.31?(6)°. An intra-molecular O-H?N hydrogen bond and weak inter-molecular C-H?O hydrogen bonds are present in the structure.

| S-EPMC3152017 | biostudies-other

Crystal structure of aqua-(nitrato-κO)dioxido{2-[3-(pyridin-2-yl-κN)-1H-1,2,4-triazol-5-yl-κN (4)]phenolato-κO}uranium(VI) aceto-nitrile monosolvate monohydrate.

Project description:In the title compound, [U(C13H9N4O)(NO3)O2(H2O)]·CH3CN·H2O, the U(VI) atom is seven-coordinated in a distorted penta-gonal-bipyramidal N2O5 manner by one tridentate triazole ligand, one monodentate nitrate anion and one water mol-ecule in the equatorial plane and by two uran-yl(VI) O atoms in the axial positions. In the crystal, the U(VI) complex mol-ecule is linked to the water and aceto-nitrile solvent mol-ecules through N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds, forming a sheet structure parallel to the bc plane. The sheets are further linked by an additional O-H⋯O hydrogen bond, forming a three-dimensional network.

| S-EPMC4770975 | biostudies-literature

Redetermination of di-?-hydroxido-bis-[diaqua-chlorido-dioxido-uranium(VI)] from single-crystal synchrotron data.

Project description:The title compound, [(UO(2))(2)Cl(2)(OH)(2)(H(2)O)(4)], was obtained unintentionally as the product of an attempted reaction between uranium(VI) oxide dihydrate, UO(3)·2H(2)O, and hydrogen bis-(trifluoro-methyl-sulfon-yl)imide (HTf(2)N), in an experiment to obtain crystals of uranyl bis-(trifluoro-methyl-sulfon-yl)imide, UO(2)(Tf(2)N)(2)·xH(2)O. The structure consists of neutral dimers of uranyl (UO(2) (2+)) units, double bridged by OH(-) anions. Each uranyl unit is surrounded by one Cl and four O atoms, which form an irregular penta-gon, in a plane perpendicular to the linear uranyl groups. The coordination geometry around each U atom can be considered to be distorted penta-gonal-bipyramidal. In the crystal structure the uranyl dimers are connected to each other by hydrogen-bonding inter-actions [O?Cl = 3.23?(1)?Å].

| S-EPMC2979817 | biostudies-other

Aqua-[N'-(3-eth-oxy-2-oxidobenzyl-?O)furan-1-carbohydrazidato-?N',O]dioxido-molybdenum(VI)-4,4'-bipyridine (2/1).

Project description:The Mo(VI) atom in the title co-crystal, [Mo(C(14)H(12)N(2)O(4))O(2)(H(2)O)]·0.5C(10)H(8)N(2), is O,N,O'-chelated by the deprotonated Schiff base and coordinated by the oxide and water O atoms in an octa-hedral geometry. The five-membered chelate ring is planar (r.m.s. deviation = 0.019?Å), but the six-membered chelate ring is puckered (r.m.s. deviation = 0.108?Å). Two mononuclear mol-ecules are linked across a center of inversion by an O-H(water)?O hydrogen bond; adjacent dinuclear units are linked by an water-4,4'-bipyridine O-H?N hydrogen bond, generating a linear chain structure. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio.

| S-EPMC3120460 | biostudies-literature

cis-Dioxido[N'-(2-oxidobenzyl-idene)pyridinium-4-carbohydrazidato-?O,N',O']vanadium(V).

Project description:The title Schiff base complex, [V(C(13)H(10)N(3)O(2))O(2)], features a square-pyramidal coordination geometry defined by the O,N',O'-donors of the tridentate Schiff base ligand and two oxide O atoms; one oxide O atom occupies the apical position. In the crystal, pyridinium-oxide N-H?O hydrogen bonds lead to zigzag supra-molecular chains with a flattened topology along [101]. The investigated crystal was twinned by nonmerohedry; the minor component refined to 18.5?(5)%.

| S-EPMC3297210 | biostudies-other

Bis(μ-pyridazine-3-carboxyl-ato-κO:O')bis-[aqua-dioxido(pyridazine-3-carboxyl-ato-κN,O)uranium(VI)] dihydrate.

Project description:The structure of the binuclear title complex, [U(2)(C(5)H(3)N(2)O(2))(4)O(4)(H(2)O)(2)]·2H(2)O, is composed of centrosymmetric dimers in which each UO(2) (2+) ion is coordinated by two ligand mol-ecules. One donates its N,O-bonding group and the other donates both carboxyl-ate O atoms. Each of the latter bridges adjacent uranyl ions. The coordination environment of the metal center is a distorted penta-gonal bipyramid. The dimers are inter-connected by O-H⋯O hydrogen bonds between coordinated and uncoordinated water mol-ecules and carboxyl-ate O atoms. An intra-molecular O-H⋯N inter-action is also present.

| S-EPMC2967926 | biostudies-literature

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