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(Dimethyl sulfoxide-?O)[2-({(ethyl-sulfan-yl)[2-(2-oxidobenzyl-idene-?O)hydrazin-yl-idene-?N]meth-yl}-imino-meth-yl)-phenol-ato-?O]dioxidouranium(VI).

ABSTRACT: The U(VI) atom in the title complex, [U(C(17)H(15)N(3)O(2)S)O(2)(C(2)H(6)OS)], exists within a distorted penta-gonal-pyramidal geometry where the oxide atoms occupy axial positions [O-U-O = 177.84?(14)°] and the penta-gonal plane is defined by the N(2)O(2) atoms of the tetra-dentate Schiff base ligand and the O atom of the dimethyl sulfoxide mol-ecule. In the crystal, centrosymmetric aggregates are formed via pairs of C-H?O inter-actions. The azomethine C=N atoms and ethyl-thiolyl group are disordered over two orientations in a 0.828?(3):0.172?(3) ratio.

SUBMITTER: Takjoo R

PROVIDER: S-EPMC3297215 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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(Dimethyl sulfoxide-κO)[2-({(ethyl-sulfan-yl)[2-(2-oxidobenzyl-idene-κO)hydrazin-yl-idene-κN]meth-yl}-imino-meth-yl)-phenol-ato-κO]dioxidouranium(VI).

Takjoo Reza R Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

The U(VI) atom in the title complex, [U(C(17)H(15)N(3)O(2)S)O(2)(C(2)H(6)OS)], exists within a distorted penta-gonal-pyramidal geometry where the oxide atoms occupy axial positions [O-U-O = 177.84 (14)°] and the penta-gonal plane is defined by the N(2)O(2) atoms of the tetra-dentate Schiff base ligand and the O atom of the dimethyl sulfoxide mol-ecule. In the crystal, centrosymmetric aggregates are formed via pairs of C-H⋯O inter-actions. The azomethine C=N atoms and ethyl-thiolyl group are diso ...[more]

PMID: 22412405

Similar Datasets

(Butan-2-ol-?O)[2-({(ethyl-sulfan-yl)[2-(2-oxidobenzyl-idene-?O)hydrazinyl-idene-?N]meth-yl}imino-meth-yl)phenolato-?O]dioxidouranium(VI).

Project description:The U atom in the title complex, [U(C(17)H(15)N(3)O(2)S)O(2)(C(4)H(10)O)], exists within a distorted penta-gonal-bipyramidal geometry where the oxide O atoms occupy axial positions [O-U-O = 179.61?(18)°] and the penta-gonal plane is defined by the N(2)O(2) atoms of the tetra-dentate Schiff base ligand and the O atom of the butan-2-ol mol-ecule. In the crystal, centrosymmetric aggregates are formed via pairs of hy-droxy-phenoxide O-H?O hydrogen bonds. The azomethine C=N atoms, the ethyl-thiolyl group and the butyl group of the butan-2-ol mol-ecule are disordered over two positions in a 0.668?(3):0.332?(3) ratio.

| S-EPMC3297222 | biostudies-literature

2-[(1E)-[(Z)-2-({[(1Z)-[(E)-2-[(2-Hy-droxy-phen-yl)methyl-idene]hydrazin-1-yl-idene]({[(4-methyl-phen-yl)meth-yl]sulfan-yl})meth-yl]disulfan-yl}({[(4-methyl-phen-yl)meth-yl]sulfan-yl})methyl-idene)hydrazin-1-yl-idene]meth-yl]phenol: crystal structure, Hirshfeld surface analysis and computational study.

Project description:The complete mol-ecule of the title hydrazine carbodi-thio-ate derivative, C32H30N4O2S4, is generated by a crystallographic twofold axis that bis-ects the di-sulfide bond. The mol-ecule is twisted about this bond with the C-S-S-C torsion angle of 90.70?(8)° indicating an orthogonal relationship between the symmetry-related halves of the mol-ecule. The conformation about the imine bond [1.282?(2)?Å] is E and there is limited delocalization of ?-electron density over the CN2C residue as there is a twist about the N-N bond [C-N-N-C torsion angle = -166.57?(15)°]. An intra-molecular hydroxyl-O-H?N(imine) hydrogen bond closes an S(6) loop. In the crystal, methyl-ene-C-H??(tol-yl) contacts assemble mol-ecules into a supra-molecular layer propagating in the ab plane: the layers stack without directional inter-actions between them. The analysis of the calculated Hirshfeld surfaces confirm the importance of H?H contacts, which contribute 46.7% of all contacts followed by H?C/C?H contacts [25.5%] reflecting, in part, the C-H??(tol-yl) contacts. The calculation of the inter-action energies confirm the importance of the dispersion term and the influence of the stabilizing H?H contacts in the inter-layer region.

| S-EPMC7405575 | biostudies-literature

[2-(1-{2-[Aza-nid-yl(ethyl-sulfan-yl)methyl-idene-?N]hydrazin-1-yl-idene-?N(1)}eth-yl)phenolato-?O](dimethyl sulfoxide-?O)dioxidomolybdenum(VI).

Project description:The Mo(VI) atom in the title complex, [Mo(C(11)H(13)N(3)OS)O(2)(C(2)H(6)OS)], is N,N',O-coordinated by the dianionic tridentate ligand, two mutually cis oxide O atoms and a dimethyl sulfoxide O atom, defining a distorted octa-hedral N(2)O(4) donor set. The most prominent feature of the crystal packing is the formation of inversion dimers via pairs of N-H?O hydrogen bonds and eight-membered {?HNMoO}(2) loops. The Schiff base ligand is disordered over two orientations of equal occupancy.

| S-EPMC3393203 | biostudies-literature

2-{[2-(2-Hy-droxy-5-meth-oxy-benzyl-idene)hydrazin-1-yl-idene]meth-yl}-4-meth-oxy-phenol.

Project description:The title phenyl-hydrazine derivative, C16H16N2O4, has a crystallographically imposed centre of symmetry. Except for the methyl group, all non-H atoms are almost coplanar (r.m.s. deviation = 0.0095?Å). Intra-molecular O-H?N hydrogen bonds are observed, generating S(6) graph-set ring motifs.

| S-EPMC3998297 | biostudies-literature

2-{[2-(2-Hy-droxy-3-meth-oxy-benzyl-idene)hydrazin-1-yl-idene]meth-yl}-6-meth-oxy-phenol.

Project description:The title compound, C(16)H(16)N(2)O(4), was obtained from the reaction of hydrazine hydrate and o-vanilin in absolute ethanol. The mol-ecule is almost planar (except for the methyl H atoms), with a mean deviation from the plane of 0.0259?Å. The mol-ecular structure also exhibits an approximate non-crystallographic twofold axis. Intra-molecular O-H?N hydrogen bonds occur. In the crystal, inter-molecular C-H?O hydrogen bonds generate mol-ecular zigzag sheets. The sheets stack through C-H?? inter-actions, leading to a three-dimensional-network.

| S-EPMC3201493 | biostudies-literature

4-Bromo-2-[(E)-(2-{2-[(2-{[(E)-5-bromo-2-hy-droxy-benzyl-idene]amino}-phen-yl)sulfan-yl]ethyl-sulfan-yl}phen-yl)imino-meth-yl]phenol.

Project description:The asymmetric unit of the title compound, C(28)H(22)Br(2)N(2)O(2)S(2), comprises half of a Schiff base ligand, the whole mol-ecule being generated by a crystallographic inversion center located at the mid-point of the C-C bond of the central methyl-ene segment. Intra-molecular O-H?N and O-H?S hydrogen bonds make S(6) and S(5) ring motifs, respectively. In the crystal, there are no significant inter-molecular inter-actions.

| S-EPMC3435662 | biostudies-literature

{4-Bromo-2-[(2-{(ethyl-sulfan-yl)[(2-oxidobenzyl-idene-?O)amino-?N]methylidene}hydrazinyl-idene-?N)meth-yl]phenolato-?O}(butan-2-ol-?O)dioxidouranium(VI).

Project description:The U(VI) cation in the title complex, [U(C(17)H(14)BrN(3)O(2)S)O(2)(C(4)H(10)O)], exists within a distorted penta-gonal-bipyramidal geometry, where the oxide atoms occupy the axial positions [O-U-O = 179.8?(3)°] and the penta-gonal plane is defined by the N(2)O(2) atoms of the tetra-dentate Schiff base ligand and the O atom of the 2-butanol mol-ecule. In the crystal, centrosymmetric aggregates are formed via pairs of hy-droxy-phenolate O-H?O hydrogen bonds. The azomethine C=N atoms, the ethyl-thiolyl group, the 2-butanol mol-ecule and Br atom are disordered over two positions in a 0.627?(3):0.373?(3) ratio.

| S-EPMC3297237 | biostudies-literature

5-Diethyl-amino-2-{[2-(2,4-dinitro-phen-yl)hydrazin-1-yl-idene]meth-yl}phenol.

Project description:In the title compound, C(17)H(19)N(5)O(5), obtained from the condensation reaction of 4-diethyl-amino-2-hy-droxy-benzalde-hyde and 2,4-dinitro-phenyl-hydrazine, the two benzene rings are twisted by a dihedral angle of 1.75?(12)°. The nitro groups are slightly twisted with the respect to the benzene ring to which they are attached, making dihedral angles of 8.20?(15) and 5.78?(15)°. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, mol-ecules are linked by pairs of inter-molecular N-H?O hydrogen bonds, forming dimers through R(2) (2)(12) rings. These dimers are further linked by C-H?O and C-H?? and weak slipped ?-? inter-actions [centroid-centroid distance = 3.743?(2)Å]. One of the ethyl groups is disordered over two positions, with occupancy factors in the ratio 0.72:0.28.

| S-EPMC3011673 | biostudies-literature

Crystal structure of 2-((1E)-{2-[bis-(2-methyl-benzyl-sulfan-yl)methyl-idene]hydrazin-1-yl-idene}meth-yl)-6-meth-oxy-phenol.

Project description:In the title compound, C25H26N2O2S2, the central CN2S2 atoms are almost coplanar (r.m.s. deviation = 0.0058?Å). One phenyl ring clearly lies to one side of the central plane, while the other is oriented in the plane but splayed. Despite the different relative orientations, the phenyl rings form similar dihedral angles of 64.90?(3) and 70.06?(3)° with the central plane, and 63.28?(4)° with each other. The benzene ring is twisted with respect to the central plane, forming a dihedral angle of 13.17?(7)°. The S2C=N, N-N and N-N=C bond lengths of 1.2919?(19), 1.4037?(17) and 1.2892?(19)?Å, respectively, suggest limited conjugation over these atoms; the configuration about the N-N=C bond is E. An intra-molecular O-H?N hydrogen bond is noted. In the crystal, phen-yl-meth-oxy C-H?O and phen-yl-phenyl C-H?? inter-actions lead to supra-molecular double chains parallel to the b axis. These are connected into a layer via meth-yl-phenyl C-H?? inter-actions, and layers stack along the a axis, being connected by weak ?-? inter-actions between phenyl rings [inter-centroid distance = 3.9915?(9)?Å] so that a three-dimensional architecture ensues.

| S-EPMC4438809 | biostudies-other

2-[(1E)-({[(Benzyl-sulfan-yl)methane-thio-yl]amino}-imino)-meth-yl]-6-meth-oxy-phenol: crystal structure and Hirshfeld surface analysis.

Project description:The title di-thio-carbazate ester, C16H16N2O2S2, comprises two almost planar residues, i.e. the phenyl ring and the remaining 14 non-H atoms (r.m.s. deviation = 0.0410 Å). These are orientated perpendicularly, forming a dihedral angle of 82.72 (5)°. An intra-molecular hy-droxy-O-H⋯N(imine) hydrogen bond, leading to an S(6) loop, is noted. An analysis of the geometric parameters is consistent with the mol-ecule existing as the thione tautomer, and the conformation about the C=N bond is E. The thione S and imine H atoms lie to the same side of the mol-ecule, facilitating the formation of inter-molecular N-H⋯S hydrogen bonds leading to eight-membered {⋯HNCS}2 synthons in the crystal. These aggregates are connected by phenyl-C-H⋯O(hy-droxy) inter-actions into a supra-molecular layer in the bc plane; these stack with no directional inter-actions between them. An analysis of the Hirshfeld surface confirms the nature of the inter-molecular inter-actions.

| S-EPMC4910345 | biostudies-literature

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