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Poly[[tris-[?-2,2'-(butane-1,4-diyl-dithio)bis-(1,3,4-thia-diazole)-?N:N]copper(II)] bis-(perchlorate)].

ABSTRACT: In the title compound, {[Cu(C(8)H(10)N(4)S(4))(3)](ClO(4))(2)}(n), the Cu(II) atom is located on a threefold inversion axis coordinated by six N atoms of symmetry-equivalent 2,2'-(butane-1,4-diyl-dithio)bis-(1,3,4-thia-diazole) ligands in a slightly distorted octa-hedral geometry. Adjacent Cu(II) atoms are linked by the bridging bidentate thia-diazole ligands, which are situated about inversion centers. This leads to the formation of a three-dimensional network structure.

SUBMITTER: Hu PZ

PROVIDER: S-EPMC2968516 | biostudies-other | 2009 Feb

REPOSITORIES: biostudies-other

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Poly[[tris-[μ-2,2'-(butane-1,4-diyl-dithio)bis-(1,3,4-thia-diazole)-κN:N]copper(II)] bis-(perchlorate)].

Hu Pu-Zhou PZ Qin Jian-Hua JH Wang Jian-Ge JG

Acta crystallographica. Section E, Structure reports online 20090221 Pt 3

In the title compound, {[Cu(C(8)H(10)N(4)S(4))(3)](ClO(4))(2)}(n), the Cu(II) atom is located on a threefold inversion axis coordinated by six N atoms of symmetry-equivalent 2,2'-(butane-1,4-diyl-dithio)bis-(1,3,4-thia-diazole) ligands in a slightly distorted octa-hedral geometry. Adjacent Cu(II) atoms are linked by the bridging bidentate thia-diazole ligands, which are situated about inversion centers. This leads to the formation of a three-dimensional network structure. ...[more]

PMID: 21582085

Similar Datasets

catena-Poly[[[bis-[2,2'-(propane-1,3-diyl-dithio)bis-(1,3,4-thia-diazole)-?N]copper(II)]-bis-[?-2,2'-(propane-1,3-diyldithio)bis-(1,3,4-thia-diazole)-?N:N]] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C(7)H(8)N(4)S(4))(4)](ClO(4))(2)}(n), the Cu(II) atom, occupying a crystallographic inversion centre, is six-coordinated by six N atoms of three symmetry-related 2,2'-(propane-1,3-diyldithio)bis-(1,3,4-thia-diazole) (L) ligands in a slightly distorted octa-hedral geometry. The ligand L adopts two kinds of coordination modes in the crystal structure; one is a monodentate coordination mode and serves to complete the octa-hedral coordination of the Cu atom and the other is an N:N'-bidentate bridging mode in a trans configuration, bridging Cu atoms via translation symmetry along the b axis into a chain structure. The perchlorate ions serve as acceptors for inter-molecular C-H?O hydrogen bonds, which link the chains into a three-dimensional network.

| S-EPMC2968698 | biostudies-literature

Poly[[{?(4)-2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-thia-diazole)}silver(I)] perchlorate sesquihydrate].

Project description:In the polymeric title compound, {[Ag(C(8)H(10)N(4)S(4))]ClO(4)·1.5H(2)O}(n), the Ag(I) atom has a slightly distorted trigonal-planar coordination geometry provided by three N-atom donors from the thia-diazole rings of three symmetry-related 2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-thia-diazole) ligands. Centrosymmetrically related Ag(I) atoms are bridged by the N-N fragments of rings, forming six-membered dinuclear metallacycles, which are further linked by the alkyl spacers of the thia-diazole ligands into a layer network extending parallel to (0-21). The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds. The O atoms of the perchlorate anion and one water mol-ecule are disordered over two sets of sites with refined occupancy ratios of 0.640?(6):0.360?(6) and 0.663?(11):0.337?(11), respectively. The second water molecule shows half-occupancy.

| S-EPMC3379184 | biostudies-literature

Bis-{?-3,3'-(1,3,4-thia-diazole-2,5-diyl-dithio)bis-[penta-ne-dionato(1-)]}bis-[diaqua-nickel(II)] dimethyl-formamide disolvate trihydrate.

Project description:The title compound, [Ni(2)(C(12)H(12)N(2)O(4)S(3))(H(2)O)(4)]·2C(3)H(7)NO·3H(2)O, is made up of a centrosymmetric, bimetallic complex containing a 24-membered macrocyclic ring, two dimethyl-formamide and three water solvent mol-ecules. The Ni atom adopts a slightly distorted NiO(6) octahedral geometry arising from two O,O-bidentate ligands and two water molecules. There are inter-molecular O-H?O and O-H?N inter-actions in the crystal structure. One of the uncoordinated water molecules is diordered over two sets of sites of equal occupancy.

| S-EPMC2968170 | biostudies-literature

3,3'-Dibenzoyl-1,1'-(butane-1,4-diyl)-dithio-urea.

Project description:In the centrosymmetric title compound, C(20)H(22)N(4)O(2)S(2), the carbonyl group forms an intra-molecular hydrogen bond with the NH group attached to the butanediyl linker, resulting in a six-membered ring. There are also inter-molecular C-H⋯S inter-actions in the crystal structure, and π-π inter-actions between phenyl groups [2.425 (3) Å].

| S-EPMC2961008 | biostudies-literature

1,4-Bis[(5-phenyl-1,3,4-thia-diazol-2-yl)sulfan-yl]butane.

Project description:The asymmetric unit of the title compound, C(20)H(18)N(4)S(4), contains one half-mol-ecule situated on a twofold rotation axis, in which the thia-diazole and phenyl rings are twisted by 7.2?(3)°. In the crystal, weak inter-molecular C-H?? inter-actions link the mol-ecules into layers parallel to (103).

| S-EPMC3052050 | biostudies-literature

Butane-1,4-diammonium bis(perchlorate).

Project description:The butane-1,4-diammonium cation of the title compound, C(4)H(14)N(2) (2+)·2ClO(4) (-), lies on a special position of site symmetry 2/m, whereas the perchlorate anion is located on a crystallographic mirror plane. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure with each H atom of the ammonium group exhibiting bifurcated inter-actions to the perchlorate anion. Complex hydrogen-bonded ring and chain motifs are also evident, in particular a 50-membered ring with graph-set notation R(10) (10)(50) is identified.

| S-EPMC3089126 | biostudies-literature

Poly[[bis-(acetonitrile-?N)bis-[?(2)-2,2'-(methyl-enedithio)bis-(1,3,4-thia-diazole)-?N:N]copper(II)] bis-(perchlorate) acetonitrile solvate].

Project description:In the title compound, {[Cu(C(5)H(4)N(4)S(4))(2)(C(2)H(3)N)(2)](ClO(4))(2)·C(2)H(3)N}(n), the Cu(II) atom occupies a crystallographic inversion centre and is six-coordinated by six N atoms of four symmetry-related 2,2'-(methyl-enedithio)bis-(1,3,4-thia-diazole) (L) ligands and two acetonitrile mol-ecules in a slightly distorted octa-hedral geometry. The ligand L adopts an N:N'-bidentate bridging mode in a trans configuration, bridging the Cu atoms via translation symmetry, forming a two-dimensional layer-like structure. The perchlorate ions serve as acceptors for inter-molecular C-H?O hydrogen bonds, which link the layers into a three-dimensional network. The ClO(4) (-) anion is disordered with an occupation ratio of 0.658:0.342.

| S-EPMC2968791 | biostudies-literature

Butane-1,4-diyl bis-(benzene-carbodi-thio-ate).

Project description:The title compound, C18H18S4, which lies on an inversion center, adopts a trans-gauche (+)-trans-gauche (-)-trans (tg (+) tg (-) t) conformation of the S-CH2-CH2-CH2-CH2-S bond sequence. In the crystal, a ?-? inter-action with a centroid-centroid distance of 3.8797?(16)?Å is observed.

| S-EPMC3884305 | biostudies-literature

Butane-1,4-diyl bis-(pyridine-4-carboxyl-ate).

Project description:The mol-ecule of the title compound, C(16)H(16)N(2)O(4), lies about an inversion centre; the butane chain adopts an extended zigzag conformation. The dihedral angle between the pyridine ring and the adjacent COO group is 3.52?(s14)°.

| S-EPMC3152005 | biostudies-literature

Butane-1,4-diyl bis-(pyridine-3-carboxyl-ate).

Project description:Mol-ecules of the title compound (alternative name: butane-1,4-diyl dinicotinate), C(16)H(16)N(2)O(4), lie on a inversion centre, located at the mid-point of the central C-C bond of the aliphatic chain, giving one half-mol-ecule per asymmetric unit. The butane chain adopts an all-trans conformation. The dihedral angle between the mean plane of the butane-3-carboxyl-ate group [for the non-H atoms, maximum deviation = 0.0871 (15) Å] and the pyridine ring is 10.83 (7)°. In the crystal, mol-ecules lie in planes parallel to (122). The structure features weak π-π inter-actions with a centroid-centroid distance of 3.9281 (11) Å.

| S-EPMC3393279 | biostudies-literature

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