Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1R,2R)-1,2-Diphenyl-1,2-bis-(1H-tetra-zol-1-yl)ethane.

ABSTRACT: The title compound, C(16)H(14)N(8), is a new chiral ligand designed for applications in supra-molecular chemistry and Fe(2+) spin-crossover complexes. The crystal structure shows a herring-bone arrangement of the mol-ecules, which are mutually linked via inter-molecular C-H⋯N inter-actions mainly donated by the alkyl and tetra-zole H atoms.

SUBMITTER: Werner F

PROVIDER: S-EPMC2970974 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(1R,2R)-N,N'-Bis(ferrocenylmeth-yl)-1,2-diphenyl-ethane-1,2-diamine.

Project description:The title compound, [Fe(2)(C(5)H(5))(2)(C(26)H(26)N(2))], was synthesized from a chiral diamine and ferrocenecarboxaldehyde and subsequent reduction with NaBH(4). It has two chiral centers which both exhibit an R configuration. Two ferrocene groups are present in the mol-ecular structure, with their cyclo-penta-dienyl ring planes showing an almost perpen-dicular arrangement [dihedral angle 88.6?(1)°].

| S-EPMC3007283 | biostudies-other

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. π-π 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

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

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

[1,2-Bis(diphenyl-phosphino)ethane]{2-[bis-(diphenyl-phosphinometh-yl)amino]pyridinium}fluoridohydrazidato-molybdenum(IV) bis-(tetra-fluoridoborate).

Project description:In the crystal structure of the title compound, [MoF(N(2)H(2))(C(31)H(29)N(2)P(2))(C(26)H(24)P(2))](BF(4))(2), each Mo atom is surrounded by four P atoms of one 1,2-bis-(diphenyl-phosphino)ethane and one 2-[bis-(diphenyl-phosphinometh-yl)amino]pyridinium ligand. The remaining binding sites of the distorted octa-hedron are occupied by a hydrazidate (NNH(2) (2-)) and a fluoride ligand. Two F atoms of an anion are disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.

| S-EPMC2961270 | biostudies-literature

cis-[1,2-Bis(diphenyl-arsan-yl)ethane-κAs,As']tetra-carbonyl-chromium(0).

Project description:In the title compound, [Cr(C(26)H(24)As(2))(CO)(4)], the Cr atom is octa-hedrally coordinated by four carbonyl ligands and one bidentate 1,2-bis-(diphenyl-arsan-yl)ethane ligand, which chelates in a cis manner with an As-Cr-As bite angle of 82.513 (9)°. The dihedral angles between the pairs of benzene rings attached to each As atom are 84.63 (9) and 77.15 (8)°. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, forming infinite chains along the a axis. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC3200751 | biostudies-literature

A new polymorph of 5,5'-(ethane-1,2-di-yl)bis-(1H-tetra-zole).

Project description:The asymmetric unit of the title compound, C(4)H(6)N(8), contains a quarter of the mol-ecule, which possesses a crystallographically imposed centre of symmetry with all non-H atoms situated on a mirror plane. The crystal packing exhibits inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions between the tetra-zole rings of adjacent mol-ecules [centroid-centroid distance = 3.4402 (10) Å].

| S-EPMC3343959 | biostudies-literature

trans-Bis[1,2-bis-(diphenyl-phosphan-yl)ethane]-chlorido(ethyn-yl)ruthenium(II).

Project description:The mol-ecular structure of the title compound, trans-[Cu(C2H)Cl(C26H24P2)2], consists of an Ru(II) cation, located on an inversion centre, in an octa-hedral environment defined by two chelating phosphines, one acetyl-ide and one chloride ligand. The -C CH and the chlorine ligands are disordered over two equivalent positions (0.5 occupancy each). The coordination geometry is distorted octa-hedral, with the -C CH fragment and the Cl ligand in trans positions. The four P atoms occupy the equatorial plane of the octa-hedron and the chloride and acetyl-ide ligands the axial positions.

| S-EPMC3588712 | 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

Tetra-ethyl 1,1'-(ethane-1,2-di-yl)bis-(2,5-dimethyl-1H-pyrrole-3,4-dicarboxyl-ate).

Project description:The asymmetric unit of the title compound, C(26)H(36)N(2)O(8), comprises two independent mol-ecules. In each mol-ecule, the two pyrrole rings are linked by a -CH(2)CH(2)- bridge, with dihedral angles between the two pyrrole rings of 14.5?(3) and 16.4?(3)° in the two mol-ecules. Each pyrrole ring carries 2- and 5-methyl substituents and eth-oxy-carbonyl groups at the 3- and 5-positions.

| S-EPMC3011439 | 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