Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4,4-Tris(benzyl-sulfan-yl)-1,1-dichloro-3-nitro-buta-1,3-diene.

ABSTRACT: In the title compound, C(25)H(21)Cl(2)NO(2)S(3), the three phenyl rings are inclined to each other at dihedral angles of 68.4?(1), 79.5?(1) and 37.0?(1)°.

SUBMITTER: Aydinli G

PROVIDER: S-EPMC2968351 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,4,4-Tris(benzyl-sulfan-yl)-1,1-dichloro-3-nitro-buta-1,3-diene.

Aydinli Goksin G Sayil Cigdem C Ibis Cemil C

Acta crystallographica. Section E, Structure reports online 20090110 Pt 2

In the title compound, C(25)H(21)Cl(2)NO(2)S(3), the three phenyl rings are inclined to each other at dihedral angles of 68.4 (1), 79.5 (1) and 37.0 (1)°. ...[more]

PMID: 21581886

Similar Datasets

4,4-Bis(4-methyl-phenyl-sulfan-yl)-1,1-diphenyl-2-aza-buta-1,3-diene.

Project description:In the title compound, C(29)H(25)NS(2), both the Cl atoms of the aza-diene precursor 4,4-dichloro-1,1-diphenyl-2-aza-buta-1,3-diene are replaced by two vicinal S-p-tolyl substituents attached to the terminal C atom of a π-conjugated 2-aza-butadiene array. The aza-diene chain is planar to within 0.01 Å. One of the phenyl rings seems to be slightly π-conjugated with the aza-diene core [dihedral angle 5.1 (2)°].

| S-EPMC2960289 | biostudies-literature

2,3-Bis(phenoxy-meth-yl)buta-1,3-diene.

Project description:The mol-ecule of the title compound, C(18)H(18)O(2), a symmetrically phenol-substituted divinyl analog, exhibits crystallographically imposed C(2) symmetry. The phenolic and divinyl planar groups inter-sect each other orthogonally, with a dihedral angle of 82.7?(1)°. The structure is stabilized by a short intra-molecular C-H?O contact. The mol-ecules are held together by C-H?? inter-actions, forming a sheet structure parallel to the (201) plane.

| S-EPMC2915194 | biostudies-literature

Expression data from HeLa cell treated with Tris(1,3-dichloro-2-propyl)phosphate

Project description:Tris(1,3-dichloro-2-propyl)phosphate is widely used in consumer products as a flame retardant. Humans are often exposed to this compound. However, the molecular mechanisms of the compound`s adverse effects are still unclear. We address the molecular and cellular mechanisms underlying tris(1,3-dichloro-2-propyl)phosphate effects on HeLa cells. Here RNA-Seq analysis was performed to identify distinct classes of up- or down-regulated genes and their connections to different metabolic pathways.

2020-05-27 | GSE147560 | GEO

(Z,Z)-1,4-Diiodo-1,4-bis-(trimethyl-silyl)buta-1,3-diene.

Project description:The asymmetric unit of the title compound, C(10)H(20)I(2)Si(2), contains two half-mol-ecules. Both complete molecules are generated by crystallographic inversion centers located at the mid-points of the central C-C single bonds; the butadiene groups are planar, with a trans conformation about the central C-C bond. The mol-ecules show short intra-molecular H?I contacts of 2.89 and 2.92?Å. The crystal packing shows no short inter-molecular contacts.

| S-EPMC2959778 | biostudies-literature

1,4-Bis[4-(tert-butyl-sulfan-yl)phen-yl]buta-1,3-diyne.

Project description:The asymmetric unit of the title compound, C(24)H(26)S(2), consits of one half-mol-ecule, which is located on a center of inversion. The two benzene rings are exactly coplanar while the tert-butyl group is oriented nearly perpendicular to the ring plane [C-S-C-C = -81.14?(11)°].

| S-EPMC3344644 | biostudies-literature

1,4-Bis(4-bromo-2,6-diisopropyl-phen-yl)-1,4-diaza-buta-1,3-diene.

Project description:The molecule of the title compound, C(26)H(34)Br(2)N(2), lies on a crystallographic inversion center and hence the two imine groups are s-trans. The dihedral angle between the central 1,4-diaza-buta-1,3-diene unit and the attached substituted phenyl ring is 88.4?(7)°. The structure features a C-H?N close contact. The crystal selected for this study proved to be a non-merohedral twin with a minor component of 21.8?(3)%.

| S-EPMC2980129 | biostudies-literature

2,3-Bis[(2-methyl-phen-oxy)meth-yl]buta-1,3-diene.

Project description:The mol-ecule of the title compound, C(20)H(22)O(2), a symmetrically 2-methyl-phenol-substituted divinyl analog, exhibits crystallographically imposed C(2) symmetry. The mol-ecular structure is essentially planar. The structure is stabilized by a short inter-molecular C-H?O contact. Cooperative C-H?? inter-actions generate an infinite one-dimensional chain of mol-ecules along the a axis.

| S-EPMC2915193 | biostudies-other

(1E,3E)-1,4-Bis(4-meth-oxy-phen-yl)buta-1,3-diene.

Project description:The title compound, C(18)H(18)O(2), which exhibits blue emission in the solid state, is an inter-mediate in the preparation of liquid crystals and polymers. The mol-ecule is located on an inversion centre. In the crystal, mol-ecules are arranged in a herringbone motif.

| S-EPMC2983339 | biostudies-other

(E)-N'-(2,4-Dichloro-benzyl-idene)-3-nitro-benzohydrazide.

Project description:The title compound, C(14)H(9)Cl(2)N(3)O(3), was prepared by the reaction of 3-nitro-benzohydrazide with 2,4-dichloro-benzalde-hyde. The mol-ecule adopts an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 4.6?(2)°. In the crystal, the hydrazone mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains along the c axis.

| S-EPMC3011430 | biostudies-literature

Bis[1,3(?)-all-yl][?-2(?)-1,3-bis-(di-phenyl-phosphino)-2,4-diphenyl-cyclo-buta-1,3-diene-1:3?P:P']dichlorido-1?Cl,3?Cl-[2(?)-isopropyl-cyclo-penta-dien-yl]-2-cobalt(I)-1,3-dipalladium(II) dichloro-methane solvate.

Project description:In the title complex, [CoPd(2)(C(3)H(5))(2)(C(8)H(11))Cl(2)(C(40)H(30)P(2))]·CH(2)Cl(2), the Co(I) atom is sandwiched between the cyclo-penta-dienyl and cyclo-butadiene rings. The two diphenyl-phosphine substituents of the cyclo-butadiene ring are situated opposite to each other and bind two Pd(II) atoms, which are additionally coordinated by a chloride ion and the three C atoms of an allyl ligand, forming a distorted planar coordination environment. The Cl atoms of the dichloro-methane solvent mol-ecule (equal occupancies) and one C atom and its attached H atom of each of the allyl ligands (occupancies 0.55:0.45) are disordered.

| S-EPMC2969551 | 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