Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[bis-{?(3)-tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine}copper(II)] bis-(perchlorate)].

ABSTRACT: In the title compound, {[Cu(C(9)H(15)N(13))(2)](ClO(4))(2)}(n), the Cu(2+) cation lies on an inversion center and is coordinated by the tetra-zole N(4) atoms of six symmetry-equivalent tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine ligands (t(3)z) in the form of a Jahn-Teller-distorted octa-hedron with Cu-N bond distances of 2.0210?(8), 2.0259?(8) and 2.4098?(8)?Å. The tertiary amine N atom is stereochemically inactive. The cationic part of the structure, viz. [Cu(t(3)z)(2)](2+), forms an infinite two-dimensional network parallel to (100), in pockets of which the perchlorate anions reside. The individual networks are partially inter-locked and held together by C-H?O inter-actions to the perchlorate anions and C-H?N inter-actions to tetra-zole N atoms.

SUBMITTER: Werner F

PROVIDER: S-EPMC2983878 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Poly[[bis-{μ(3)-tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine}copper(II)] bis-(perchlorate)].

Werner Franz F Tokuno Kenji K Hasegawa Miki M Linert Wolfgang W Mereiter Kurt K

Acta crystallographica. Section E, Structure reports online 20100313 Pt 4

In the title compound, {[Cu(C(9)H(15)N(13))(2)](ClO(4))(2)}(n), the Cu(2+) cation lies on an inversion center and is coordinated by the tetra-zole N(4) atoms of six symmetry-equivalent tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine ligands (t(3)z) in the form of a Jahn-Teller-distorted octa-hedron with Cu-N bond distances of 2.0210 (8), 2.0259 (8) and 2.4098 (8) Å. The tertiary amine N atom is stereochemically inactive. The cationic part of the structure, viz. [Cu(t(3)z)(2)](2+), forms an infinite two- ...[more]

PMID: 21580502

Similar Datasets

Di-?-bromido-bis-({bis-[2-(2-pyrid-yl)eth-yl]amine}copper(II)) bis-(perchlorate).

Project description:Each Cu atom in the dinuclear centrosymmetric title complex, [Cu(2)Br(2)(C(14)H(17)N(3))(2)](ClO(4))(2), is ligated in a distorted square-pyramidal geometry (? = 0.31) by a tridentate bis-[2-(2-pyrid-yl)eth-yl]amine ligand, and by two bridging Br atoms. In addition, the dinuclear species is stabilized by two hydrogen-bonded perchlorate anions.

| S-EPMC2960247 | biostudies-literature

4,5-Bis(1H-tetra-zol-5-yl)-1H-imidazole monohydrate.

Project description:The title compound, C(5)H(4)N(10)·H(2)O, is composed of three five-membered rings that are essentially coplanar, the dihedral angles between the imidazole ring and the tetra-zole rings being 3.5?(2) and 3.0?(2)°. In the crystal, inter-molecular O-H?N, N-H?O and N-H?N hydrogen bonds lead to the formation of a three-dimensional network. An intra-molecular N-H?N hydrogen bond is also present.

| S-EPMC2969525 | biostudies-literature

(Salicylato)[tris-(1-methyl-1H-benz-imidazol-2-ylmeth-yl)amine]copper(II) perchlorate dimethyl-formamide disolvate.

Project description:In the title complex, [Cu(C(7)H(5)O(3))(C(27)H(27)N(7))]ClO(4)·2C(3)H(7)NO, the Cu(II) ion is five-coordinated by four N atoms from the tris-(1-methyl-1H-benzimidazol-2-ylmeth-yl)amine ligand and an O atom of the monodentate salicylate ligand. The N(4)O donor set defines a coordination geometry inter-mediate between square-pyramidal and trigonal-bipyramidal. The crystal structure is stabilized by O-H⋯O inter-actions. The atoms of the aromatic ring of the salicylate ligand are disordered over two sites of equal occupancy. In addition, one of the dimethyl-formamide solvent mol-ecules is partially disordered over two positions, of approximately equal occupancy.

| S-EPMC2914911 | biostudies-literature

1,2-Bis(1H-tetra-zol-5-yl)benzene dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(8)·2H(2)O, contains one half-mol-ecule, with the benzene ring on a centre of symmetry, and two uncoordinated water mol-ecules. The benzene ring is oriented at a dihedral angle of 34.43?(12)° with respect to the tetra-zole ring. Strong O-H?N hydrogen bonds link the water mol-ecules to the N atoms of the tetra-zole ring. In the crystal structure, strong inter-molecular O-H?O and O-H?N hydrogen bonds link the mol-ecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.

| S-EPMC2969647 | biostudies-literature

Bis[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]methane.

Project description:The mol-ecule of the title compound, C(5)H(8)N(8)S(2), lies on a twofold rotation axis that relates on 1-methyl-tetra-zolyl group to the other; the five-membered rings are twisted by 53.1?(1)°.

| S-EPMC3100044 | biostudies-literature

Bis[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]ethane.

Project description:The title compound, C(6)H(10)N(8)S(2), was prepared by the nucleophilic substitution reaction of 5-mercapto-1-methyl-tetra-zole and dichloro-ethane. In the crystal, the mol-ecule possesses an approximate non-crystallographic twofold symmetry axis. The crystal packing is stabilized by weak inter-molecular C-H⋯N and π-π inter-actions [centroid-centroid distances = 3.448 (6), 3.5085 (5) and 3.4591 (2) Å]. The two five-membered rings form a dihedral angle of 1.9 (2)°.

| S-EPMC3151974 | biostudies-literature

[(6-Methyl-2-pyridylmeth-yl)(2-pyridylmeth-yl)amine][(2-pyridylmeth-yl)amine]copper(II) bis-(perchlorate).

Project description:The title compound, [Cu(C(6)H(8)N(2))(C(13)H(15)N(3))](ClO(4))(2), is a mixed ligand complex with the Cu(II) atom coordinated by (6-methyl-2-pyridylmeth-yl)(2-pyridylmeth-yl)amine, acting as a tridentate ligand, and 2-(2-amino-meth-yl)pyridine, as a bidentate ligand, leading to an N(5) square-pyramidal geometry. The amine H atoms are involved in hydrogen bonding to the perchlorate O atoms and there are extensive but weak inter-molecular C-H⋯O inter-actions in the crystal structure. The perchlorate ions are each disordered over two positions, with site occupancies of 0.601 (8):0.399 (8) and 0.659 (11):0.341 (11).

| S-EPMC2914953 | biostudies-literature

Tetra-kis(?(2)-cyanido-?(2)C:N)dicyanido-tetra-kis-[tris-(2-amino-eth-yl)amine-?(3)N,N',N'',N''']tetra-copper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate.

Project description:The asymmetric unit of the title complex, [Cu(4)Fe(CN)(6)(C(6)H(18)N(4))(4)][Fe(CN)(5)(NO)](2)·6H(2)O, comprises a complex [{Cu(tren)CN}(4)Fe(CN)(2)](4+) [tren is tris-(2-amino-eth-yl)amine] cation, which exhibits -1 symmetry with the terminal cyanide ligands oriented trans to each other, and two [Fe(CN)(5)(NO)](2-) nitroprussiate counter-anions. In the crystal, N-H?N hydrogen-bonding inter-actions are observed between H atoms on the primary amine groups of the tren ligand and the terminal cyanide groups of the nitro-prussiate counter-ions. The N atom in the terminal CN ligand of the cation is equally disordered over two positions. The structure also contains disordered lattice water mol-ecules. Their contribution was elimin-ated from the refinement using the procedure described by van der Sluis & Spek (1990 ?).

| S-EPMC3470149 | biostudies-literature

trans-Diaqua-bis{1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane}zinc(II) bis-(perchlorate).

Project description:The Zn(II) ion in the title compound, [Zn(C(15)H(14)N(10))(H(2)O)(2)](ClO(4))(2), lies on a centre of symmetry. The distorted N(4)O(2) octa-hedral coordination environment around the Zn atom is composed of two 1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane ligands (L1) and two water mol-ecules, coordinated in trans positions. The ligand acts as a typical bidentate chelating ligand through one of its 2-pyridyl-2H-tetra-zole units, forming a five-membered Zn-N-C-C-N metallacycle with a small N-Zn-N bite angle [77.40 (8)°]. The other 2-pyridyl-2H-tetra-zole unit remains uncoordinated. The average Zn-N distance (2.156 Å) is somewhat longer than the distance between the Zn(II) center and the aqua ligand [2.108 (2) Å]. The coordinated pyrid-yl-tetra-zoyl rings are quasi-coplanar, making a dihedral angle of 1.9 (2)°, while the uncoordinated rings show a larger inter-planar angle of 21.3 (2)°. The flexible propane spacer displays a zigzag chain. Inter-molecular O-H⋯N and O-H⋯O inter-actions result in two-dimensional polymeric structures parallel to (100). Two C atoms of the spacer are disordered over two positions, with site occupancy factors of ca 0.85 and 0.15.

| S-EPMC2960969 | biostudies-literature

Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.

Project description:In the two anions of the title salt, C(2)H(10)N(2) (2+)·2C(8)H(5)N(8) (-)·2H(2)O, the central aromatic rings make dihedral angles of 13.53?(6) and 6.53?(7)° with the deprotonated tetra-zole rings, and 11.39?(6) and 10.41?(9)° with the other tetra-zole groups. In the crystal, the cations, anions and water mol-ecules are linked by an extensive O-H?N, N-H?O and N-H?N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. ?-? stacking inter-actions between benzene rings [inter-centroid distances are 3.8482?(4) and 3.9621?(5)?Å] and between tetra-zole rings [inter-centroid distances are 3.4350?(4) and 3.7169?(4)?Å] further consolidate the crystal structure.

| S-EPMC3200657 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data