Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[(μ(2)-3,6-di-4-pyridyl-1,2,4,5-tetra-zine)(μ(2)-thio-cyanato)copper(I)].

ABSTRACT: The title compound, [Cu(NCS)(C(12)H(8)N(6))](n), is a self-assembled two-dimensional metal-organic network. The Cu atom is linked by two N atoms from two 3,6-di-4-pyridyl-1,2,4,5-tetra-zine ligands and by the N and S atoms from two thio-cyanate ligands in a distorted tetra-hedral environment. The Cu atom and the thio-cyanate ligand occupy a crystallographic mirror plane m, and a crystallographic inversion centre is in the middle of the tetra-zine ring, generating the zigzag fashion of the two-dimensional network. The infinite -Cu-SCN-Cu-SCN- chain is due to translational symmetry along the a axis. These chains are further connected through the 3,6-di-4-pyridyl-1,2,4,5-tetra-zine ligands that bridge the Cu(I) centers, generating a two-dimensional network. There are π-π stacking inter-actions between the pyridine and tetra-zine rings (perpendicular distances of 3.357 and 3.418 Å), with a centroid-centroid distance of 3.6785 (16) Å.

SUBMITTER: Wu Y

PROVIDER: S-EPMC2979958 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

3,6-Di-4-pyridyl-1,4-dihydro-1,2,4,5-tetra-zine.

Project description:The mol-ecule of the title compound, C(12)H(10)N(6), which is V-shaped due to the boat conformation of the dihydro-tetra-zine ring, has crystallographic C(2) symmetry. The dihedral angle between the planes of the two pyridine rings is 31.57 (3)°. Mol-ecules are linked by weak N-H⋯N and C-H⋯N hydrogen bonds, forming a two-dimensional polymeric structure.

| S-EPMC2961757 | biostudies-literature

4,4'-(1,2,4,5-Tetra-zine-3,6-di-yl)dibenzo-nitrile.

Project description:Mol-ecules of the title compound, C(16)H(8)N(6), lie on crystallographic inversion centres. A dihedral angle of 16.1 (1)° is formed between the central tetra-zine ring and the plane of each cyano-phenyl group. The mol-ecules form stacks along [100] with a perpendicular inter-planar separation of 3.25 (1) Å. C-H⋯N inter-actions are formed between mol-ecules in neighbouring stacks.

| S-EPMC2968976 | biostudies-literature

catena-Poly[[[(triphenyl-phosphane)copper(I)]-di-μ-iodido-[(triphenyl-phosphane)copper(I)]-μ-[3,6-bis-(4-pyrid-yl)-1,2,4,5-tetra-zine]] acetonitrile disolvate].

Project description:The title compound, {[Cu(2)I(2)(C(12)H(8)N(6))(C(18)H(15)P)(2)]·2CH(3)CN}(n), contains centrosymmetric dinuclear Cu(2)I(2)(PPh(3))(2) units bridged by 3,6-bis-(4-pyrid-yl)-1,2,4,5-tetra-zine ligands lying also across crystallographic inversion centers, giving a chain structure in the ab plane. The distorted tetra-hedral Cu(I) atoms in the dinuclear unit are coordinated by two bridging iodide anions, one pyridine N atom from the substituted tetra-zine ligand and one terminal triphenyl-phosphine P-atom donor. The Cu⋯Cu distance is 2.8293 (12) Å, implying a weak Cu⋯Cu inter-action.

| S-EPMC3008982 | biostudies-literature

(3,6-Dimethyl-1,2,4,5-tetra-zine-1,4-di-yl)bis-[(morpholin-4-yl)methanone].

Project description:In the title mol-ecule, C(14)H(22)N(6)O(4), the amide-substituted N atoms of the tetra-zine ring deviate from the approximate plane of the four other atoms in the ring by 0.160 (2) and 0.243 (2) Å, forming a slight boat conformation. The morpholine rings are in chair conformations.

| S-EPMC3295465 | biostudies-literature

1-Benzoyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetra-zine.

Project description:In the title compound, C(21)H(16)N(4)O, the central tetra-zine ring adopts an unsymmetrical boat conformation with the two N atoms as the bow and stern. The crystal packing is stabilized by inter-molecular N-H-O hydrogen bonds.

| S-EPMC2983408 | biostudies-literature

N(1),N(4),3,6-Tetra-methyl-1,2,4,5-tetra-zine-1,4-dicarboxamide.

Project description:The asymmetric unit of the title compound, C(8)H(14)N(6)O(2), contains two independent mol-ecules. In one mol-ecule, the amide-substituted N atoms of the tetra-zine ring deviate from the plane [maximum deviation = 0.028?(1)?Å] through the four other atoms in the ring by 0.350?(2) and 0.344?(2)?Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 10.46?(13) and 20.41?(12)° with the four approximtely planar atoms in the tetra-zine ring. In the other mol-ecule, the amide-substituted N atoms of the tetra-zine ring deviate from the plane [maximum deviation = 0.033?(1)?Å] through the four other atoms in the ring by 0.324?(2) and 0.307?(2)?Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 14.66?(11) and 17.08?(10)° with the four approximately planar atoms of the tetra-zine ring. In the crystal, N-H?O hydrogen bonds connect mol-ecules to form a two-dimensional network parallel to (1-1-1). Intra-molecular N-H?N hydrogen bonds are observed.

| S-EPMC3379411 | biostudies-literature

1,2,4,5-Tetra-methyl-3,6-diphenyl-1,2,4,5-tetra-aza-3,6-diphosphinane.

Project description:The title compound, C(16)H(22)N(4)P(2), crystallizes about a centre of symmetry, leading to a chair conformation of the heterocyclic ring as is commonly found for this type of compound.

| S-EPMC2960921 | biostudies-literature

Crystal structure of 3,6-bis-(pyridin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine.

Project description:The structure of the title compound, C12H10N6, at 100?K has monoclinic (P21/n) symmetry. Crystals were obtained as a yellow solid by reduction of 3,6-bis-(pyridin-2-yl)-1,2,4,5-tetra-zine. The structure displays inter-molecular hydrogen bonding of the N-H?N type, ordering mol-ecules into infinite ribbons extending along the [100] direction.

| S-EPMC6323887 | biostudies-other

3,6-Bis(4-chloro-phen-yl)-N,N-bis-(1-phenyl-eth-yl)-1,2,4,5-tetra-zine-1,4-di-carboxamide.

Project description:In the title mol-ecule, C(32)H(28)Cl(2)N(6)O(2), the amide-substituted N atoms of the tetra-zine ring deviate from the approximate plane of the four other atoms in the ring by 0.468?(3) and 0.484?(3)?Å, forming a boat conformation. The dihedral angle between the two phenyl rings is 67.0?(1)° and that between the two chloro-substituted benzene rings is 73.8?(1)°. Two intra-molecular N-H?N hydrogen bonds are observed.

| S-EPMC3297322 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 3,6-bis-(pyrimidin-2-yl)-1,4-di-hydro-1,2,4,5-tetra-zine dihydrate.

Project description:In the title compound, C10H8N8·2H2O or H2bmtz·2H2O [bmtz = 3,6-bis-(2'-pyrimid-yl)-1,2,4,5-tetra-zine], the asymmetric unit consists of one-half mol-ecule of H2bmtz and one water mol-ecule, the whole H2bmtz mol-ecule being generated by a crystallographic twofold rotation axis passing through the middle point of the 1,4-di-hydro-1,2,4,5-tetra-zine moiety. In the crystal, N-H⋯O, N-H⋯N, O-H⋯O hydrogen bonds and aromatic π-π stacking inter-actions link the components into a three-dimensional supra-molecular network. Hirshfeld surface analysis was used to further investigate the inter-molecular inter-actions in the crystal structure.

| S-EPMC7133042 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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