Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-[(Biphenyl-4,4'-di-yl)di(ethene-1,2-di-yl)]dibenzene-sulfonic acid-4-methyl-piperidine-water (1/2/2).

ABSTRACT: The title compound, C(28)H(22)O(6)S(2)·2C(6)H(13)N·2H(2)O, was prepared by the reaction of a Wittig reagent and 2-formyl-benzene-sulfonic acid. The main molecule lies about an inversion centre at the midpoint of the C-C bond between the inner benzene rings. The mol-ecular conformation is stabilized by intramolecular hydrogen bonds. The crystal structure is further stabilized by O-H?O and N-H?O hydrogen-bonding inter-actions.

SUBMITTER: Li YF

PROVIDER: S-EPMC2977480 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2'-[(Biphenyl-4,4'-di-yl)di(ethene-1,2-di-yl)]dibenzene-sulfonic acid-4-methyl-piperidine-water (1/2/2).

Li Yu-Feng YF Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8

The title compound, C(28)H(22)O(6)S(2)·2C(6)H(13)N·2H(2)O, was prepared by the reaction of a Wittig reagent and 2-formyl-benzene-sulfonic acid. The main molecule lies about an inversion centre at the midpoint of the C-C bond between the inner benzene rings. The mol-ecular conformation is stabilized by intramolecular hydrogen bonds. The crystal structure is further stabilized by O-H⋯O and N-H⋯O hydrogen-bonding inter-actions. ...[more]

PMID: 21583614

Similar Datasets

Tris[4,4'-(ethene-1,2-di-yl)dipyridinium] deca-vanadate dihydrate.

Project description:The asymmetric unit of the title compound, (C(12)H(12)N(2))(3)[V(10)O(28)]·2H(2)O, contains one half of a deca-vanadate anion, one and a half trans-1,2-bis-(4-pyridinio)ethene cations and one water mol-ecule. The V(10)O(28) groups are involved in a three-dimensional hydrogen-bonding network through Ow-H?O, N-H?O and C-H?O inter-actions.

| S-EPMC2983728 | biostudies-literature

Dimethyl 2,2'-di-nitro-biphenyl-4,4'-di-carboxyl-ate.

Project description:The title compound, C16H12N2O8, exhibits two near-planar aromatic ester groups with ar-yl-ester dihedral angles of 2.1?(2) and 4.2?(3)°. The dihedral angle between the aromatic rings is 58.0?(1)°. The two nitro groups are tilted slightly from the plane of the aromatic rings, making dihedral angles of 14.1?(1) and 8.2?(2)°. In the crystal, mol-ecules are connected by weak C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC3998396 | biostudies-literature

N,N'-(Ethane-1,2-di-yl)dibenzene-sulfonamide.

Project description:In the title compound, C(14)H(16)N(2)O(4)S(2), the dihedral angle between the terminal phenyl rings is 77.07?(13)°. The geometries around the S atoms are distorted tetra-hedral, with O-S-O angles of 120.66?(12) and 119.44?(11)°. In the crystal, mol-ecules are stacked in columns along the a axis via inter-molecular N-H?O and C-H?O hydrogen bonds.

| S-EPMC3200692 | biostudies-literature

4,4'-(Ethene-1,2-di-yl)dipyridinium 4-[2-(pyridin-4-yl)ethen-yl]pyridinium octa-cyanidomolybdate(V) tetra-hydrate.

Project description:The crystal structure of the title compound, (C12H12N2)(C12H11N2)[Mo(CN)8]·4H2O, consists of 4,4'-(ethene-1,2-di-yl)dipyridinium and 4-[2-(pyridin-4-yl)ethen-yl]pyridinium cations disordered over the same site, an [Mo(CN)8](3-) anion and four water mol-ecules of crystallization. The eight-coordinate [Mo(CN)8](3-) unit exhibits a slightly distorted square-anti-prismatic geometry. In the structure, the cations (crystallographic symmetry, 2) and anions (crystallographic symmetry, 222) are arranged alternately by N-H?O and O-H?N hydrogen bonds, forming layers parallel to the bc plane. These layers are further linked through O-H?N hydrogen bonds, generating a three-dimensional supra-molecular network.

| S-EPMC3588454 | biostudies-literature

{2,2'-[(1,2-Di-cyano-ethene-1,2-di-yl)bis-(nitrilo-methanylyl-idyne)]diphenolato-?(4) O,N,N',O'}(methanol-?O)zinc.

Project description:In the title complex, [Zn(C18H10N4O2)(CH4O)], the Zn(2+) cation is located on a mirror plane and is coordinated by a tetradentate Schiff base ligand anion (L (2-)) and a methanol mol-ecule. The Zn(2+) cation is surrounded by two N atoms and two O atoms from L (2-), in a nearly planar configuration, and one methanol O atom, forming a slightly distorted square-pyramidal geometry. The methanol molecule is disordered over two sets of sites in a 0.5:0.5 ratio. In the crystal, O-H?O hydrogen bonds link the mol-ecules into chains parallel to [001].

| S-EPMC3772442 | biostudies-literature

2,2'-(4-Methyl-4H-1,2,4-triazole-3,5-di-yl)dibenzene-sulfonamide.

Project description:In the title compound, C(15)H(15)N(5)O(4)S(2), the dihedral angles between the central 1,2,4-triazole ring and the pendant benzene rings are 55.61?(10) and 68.59?(10)°; the dihedral angle between the benzene rings is 63.66?(9)°. Intra-molecular N-H?N and N-H?O hydrogen bonds generate S(7) and S(12) rings, respectively. In the crystal, sheets extending in the (101) plane arise, with the mol-ecules linked by C-H?O, N-H?N and N-H?O inter-actions. A C-H?? inter-action further consolidates the structure.

| S-EPMC3295521 | biostudies-literature

trans-(Ethene-1,2-di-yl)bis-(diphenyl-phosphine selenide).

Project description:In the title mol-ecule, C(26)H(22)P(2)Se(2), both P atoms have distorted tetra-hedral environments, resulting in effective cone angles of 177 and 174°. Inversion twinning was detected and refined to a ratio of 0.35:0.65. Weak inter-molecular C-H?Se inter-actions are observed.

| S-EPMC3254404 | biostudies-literature

2,2',4,4',6,6'-Hexamethyl-N-(3-phthalimidoprop-yl)-N,N'-(propane-1,3-di-yl)dibenzene-sulfonamide.

Project description:In the title compound, C(32)H(38)N(3)O(6)S(2), an inter-mediate in the synthesis of polyamine drugs, the dihedral angle between the phenyl rings of the two 2,4,6-trimethyl-benzene-sulfonyl groups is 27.1?(3)°. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, thereby forming an infinite one-dimensional chain propagating along [010].

| S-EPMC2960108 | biostudies-other

2,2'-[(2S*,6R*)-Piperidine-2,6-di-yl]-di-pro-pan-2-ol.

Project description:In the title compound, C(11)H(23)NO(2), the piperidine ring has a chair conformation. The two hy-droxy H atoms are disordered over two positions with fixed occupancy ratios of 0.57:0.43 and 0.63:0.37. In the mol-ecule, there are two short N-H⋯O inter-actions. In the crystal, four symmetry-related mol-ecules are linked by O-H⋯O hydrogen bonds to form a cage-like arrangement, centered about the point of inter-section of three twofold axes. These cages stack along the [100] direction.

| S-EPMC3297911 | biostudies-literature

catena-Poly[(E)-4,4'-(ethene-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-?N)ferrate(II)]-di-?-thio-cyanato-?N:S;?S:N]].

Project description:In the title compound, {(C(12)H(12)N(2))[Fe(NCS)(4)]}(n), each Fe(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in an octa-hedral coordination mode. The asymmetric unit consists of one Fe(II) cation, located on a center of inversion, as well as one protonated (E)-4,4'-(ethene-1,2-di-yl)dipyridinium dication and two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains extending along the a axis, in which two further thio-cyanate anions are only terminally bonded via nitro-gen. Non-coordinating (E)-4,4'-(ethene-1,2-di-yl)dipyrid-inium cations are found between the chains.

| S-EPMC2983361 | 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