Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5,5'-(Disulfanedi-yl)bis-(1-methyl-1H-tetra-zole).

ABSTRACT: In the title mol-ecule, C(4)H(6)N(8)S(2), two tetra-zole rings linked by a disulfide bridge form a dihedral angle of 71.32?(7)° [C-S-S-C torsion angle = -80.51?(10)°]. In the crystal, strong inter-molecular ?-? inter-actions between the tetra-zole rings [centroid-centroid distance = 3.285?(3)?Å] link pairs of mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H?N hydrogen bonds further link these dimers, related by translation in the [100] direction, into columns.

SUBMITTER: Cui AY

PROVIDER: S-EPMC3213616 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

5,5'-(Disulfanedi-yl)bis-(1-methyl-1H-tetra-zole).

Cui Ai-Yun AY Liu Jing-Lin JL

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

In the title mol-ecule, C(4)H(6)N(8)S(2), two tetra-zole rings linked by a disulfide bridge form a dihedral angle of 71.32 (7)° [C-S-S-C torsion angle = -80.51 (10)°]. In the crystal, strong inter-molecular π-π inter-actions between the tetra-zole rings [centroid-centroid distance = 3.285 (3) Å] link pairs of mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H⋯N hydrogen bonds further link these dimers, related by translation in the [100] direction, into columns. ...[more]

PMID: 22091193

Similar Datasets

5,5'-[(1,4-Phenyl-enedimethyl-ene)bis-(sulfanedi-yl)]bis-(1-methyl-1H-1,2,3,4-tetra-zole).

Project description:The title mol-ecule, C(12)H(14)N(8)S(2), has point symmetry [Formula: see text] since it is situated on a crystallographic centre of symmetry. The 1-meth-yl/5-thio groups are in an anti-periplanar conformation. The dihedral angle between the benzene and tetra-zole rings is 84.33?(2)°. In the crystal, C-H?N hydrogen bonds link mol-ecules into ladder-like chains running along the b axis. There are also C-H?? inter-actions present in the crystal structure.

| S-EPMC3247454 | biostudies-literature

5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.

Project description:The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H?O and O-H?N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal.

| S-EPMC3011479 | 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

Bis{1-[(1H-benzimidazol-1-yl)methyl-?N]-1H-1,2,3,4-tetra-zole}silver(I) nitrate.

Project description:In the title salt, [Ag(C(9)H(8)N(6))(2)]NO(3), the central Ag(I) atom is linearly coordinated by the N atoms [171.97?(8)°] from two 1-[(benzimidazol-1-yl)meth-yl]-1H-1,2,3,4-tetra-zole ligands. The benzimidazole rings in adjacent mol-ecules are parallel with an average inter-planar distance of 3.461?Å; adjacent mol-ecules are linked through N-H?O hydrogen bonds into a linear chain along the b-axis direction.

| S-EPMC2983535 | biostudies-literature

Hexaaqua-cobalt(II) 5,5'-(propane-1,3-diyldithio)bis-(1H-tetra-zole-1-acetate).

Project description:The asymmetric unit of the title complex, [Co(H(2)O)(6)](C(9)H(10)N(8)O(4)S(2)), contains one-half of a [Co(H(2)O)(6)](2+) cation and one-half of a 5,5'-(propane-1,3-diyldithio)bis-(1H-tetra-zole-1-acetate) (battp(2-)) anion. The Co(II) center is coordinated by six H(2)O mol-ecules in a distorted octa-hedral coordination environment. In the crystal structure, intra- and inter-molecular O-H?O and O-H?N hydrogen bonds link the cations and anions into a three-dimensional network. ?-? contacts between the tetra-zole rings [centroid-centroid distance = 3.346?(1)?Å] may further stabilize the structure.

| S-EPMC2977396 | biostudies-literature

5,5'-(p-Phenyl-ene)di-1H-tetra-zole.

Project description:Crystals of the title organic compound, C(8)H(6)N(8), were generated in situ through the [2 + 3]-cyclo-addition reaction involving the precursor 1,4-dicyano-benzene and azide in water with Zn(2+) as Lewis acid. The asymmetric unit consists of one half-mol-ecule, and a twofold axis of symmetry passes through the centre of the benzene ring. There is an inter-molecular N-H?N hydrogen bond. The mol-ecules are assembled into a three-dimensional supra-molecular framework by ?-? stacking inter-actions, with a perpendicular distance of 3.256?Å [centroid-centroid = 3.9731?(8)?Å] between two tetra-zole ring planes, and 3.382?Å between the benz-ene ring and tetra-zole ring planes [centroid-centroid = 3.5010?(9)?Å].

| S-EPMC2919293 | biostudies-literature

5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole.

Project description:In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 45.7?(2)° with the tetra-zole ring. In the crystal structure, the mol-ecules are linked into a chain running along the a axis by N-H?N hydrogen bonds, and the chains are linked through ?-? inter-actions between the tetra-zole rings [centroid-centroid distance = 3.450?(2)?Å].

| S-EPMC2959255 | biostudies-literature

5-(4-Methyl-3-nitro-phen-yl)-1H-tetra-zole.

Project description:In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 38.27?(11)° with the tetra-zole ring. The crystal structure is stabilized by N-H?N hydrogen bonds, forming an infinite one-dimensional chain parallel to the a axis.

| S-EPMC2962076 | biostudies-literature

5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.

Project description:In the title compound, C(10)H(8)N(6), the tetra-zole and benzene rings are close to being coplanar [dihedral angle = 9.90?(16)°], but the imidazole ring is rotated 37.18?(09)° out of the benzene plane. In the crystal, mol-ecules are connected through tetra-zole-imidazole N-H?N hydrogen bonds, giving rise to zigzag chains, which extend along [010].

| S-EPMC3344427 | biostudies-literature

4,4',5,5'-Tetra-phenyl-3,3'-[methyl-idene-bis(sulfanedi-yl)]bis-(4H-1,2,4-triazole).

Project description:The asymmetric unit of the title compound, C(29)H(22)N(6)S(2), contains one half-mol-ecule situated on a twofold rotational axis. The two triazole rings form a dihedral angle of 27.6?(2)°. In the crystal, weak inter-molecular C-H?N hydrogen bonds link the mol-ecules into ribbons extending along [001].

| S-EPMC3009284 | 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