Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(1-methyl-1-phenyl-ethyl) peroxide.

ABSTRACT: In the crystal structure, the title compound (also called dicumyl peroxide), C(18)H(22)O(2), lies on a center of symmetry. The COOC plane including the di-oxy group makes a dihedral angle of 79.10?(5)° with the phenyl ring. An inter-molecular C-H?? inter-action is observed between the phenyl groups.

SUBMITTER: Su WY

PROVIDER: S-EPMC2959628 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(1-methyl-1-phenyl-ethyl) peroxide.

Su Wei-Yi WY Hou Guang-Yang GY Yin Qiu-Xiang QX Zhou Li-Na LN

Acta crystallographica. Section E, Structure reports online 20081018 Pt 11

In the crystal structure, the title compound (also called dicumyl peroxide), C(18)H(22)O(2), lies on a center of symmetry. The COOC plane including the di-oxy group makes a dihedral angle of 79.10 (5)° with the phenyl ring. An inter-molecular C-H⋯π inter-action is observed between the phenyl groups. ...[more]

PMID: 21580990

Similar Datasets

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-benzimidazolium) dibromide.

Project description:In the title mol-ecular salt, C(26)H(28)N(4) (2+)·2Br(-), the central benzene ring makes dihedral angles of 76.75?(11) and 82.40?(10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03?(9)°. In the crystal, the cations and anions are linked via C-H?Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C-H?? inter-actions.

| S-EPMC3297300 | biostudies-literature

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-1H-benzimidazol-1-ium) bis-(hexa-flourophosphate).

Project description:In the title compound, C(26)H(28)N(4) (2+)·2PF(6) (-), the complete cation is generated by a crystallographic twofold axis. The benz-imidazole ring is almost planar (r.m.s. deviation = 0.0207?Å) and makes dihedral angles of 50.12?(2)° with its symmetry-related component and 65.81?(2)° with the central benzene ring. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?F inter-actions. A ?-? inter-action with a centroid-centroid distance of 3.530?(1)?Å is observed. Four F atoms of the hexa-fluoro-phosphate anion are disordered over two sets of sites in a 0.889?(6):0.111?(6) ratio.

| S-EPMC3379238 | biostudies-literature

1,5-Bis(1-phenyl-ethyl-idene)carbonohydrazide.

Project description:In the title mol-ecule, C(17)H(18)N(4)O, the two phenyl rings form a dihedral angle of 18.15?(17)°. In the crystal, pairs of inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H?O inter-actions further link the dimers into chains running along [010].

| S-EPMC3009061 | biostudies-literature

Bis(2-phenyl-ethyl-ammonium) tetra-chloridocobaltate(II).

Project description:Crystals of the title compound, (C(6)H(5)CH(2)CH(2)NH(3))(2)[CoCl(4)], were grown by the solvent-evaporation method. This inorganic-organic hybrid compound exhibits a layered structure in which isolated CoCl(4) inorganic layers alternate with bilayers of phenylethylammonium cations. Although the inorganic anion is zero-dimensional, the layered structure is stabilized via N-H?Cl hydrogen bonds. The CoCl(4) tetra-hedra connect to the cations through N-H?Cl hydrogen bonds, building a two-dimensional network extending parallel to (010).

| S-EPMC3089155 | biostudies-literature

N,N'-Bis(2-phenyl-ethyl)naphthalene-1,8:4,5-bis-(dicarboximide).

Project description:The title compound, C(30)H(22)N(2)O(4), is a derivative of the naphthalene-imide pigments that are characterized by significant overlap of the stacked mol-ecules. The mol-ecule has a centre of symmetry. Accordingly, the phenylethyl groups are arranged in a trans fashion across the skeleton. The phenyl rings are not parallel to the naphthalene-imide skeleton and are twisted in the same direction by 9.27 (7)°. The mol-ecules are, however, stacked with insignificant overlap along the stacking axis, as characterized by appreciable slide in the direction of either the short or the long mol-ecular axis, in marked contrast to the ordinary naphthalene-imide pigments.

| S-EPMC2914895 | biostudies-literature

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(4,1-phenyl-ene)}diethanone.

Project description:The centroid of the central aromatic ring of the title mol-ecule, C(24)H(22)O(4), is located on an inversion center. The dihedral angle between the central and terminal benzene rings is 75.00 (7)°. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds into chains along [121]. The chains are connected into layers via C-H⋯π inter-actions.

| S-EPMC3238835 | biostudies-literature

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(3,1-phenyl-ene)}diethanone.

Project description:In the title compound, C(24)H(22)O(4), the centroid of the central benzene ring lies on a special position of 2/m site symmetry, while the terminal aromatic rings are located on a mirror plane. The central and terminal benzene rings are perpendic-ular to each other. In the crystal, the mol-ecules are connected via C-H⋯O hydrogen bonds into a three-dimensional polymeric structure. The network is further consolidated by a C-H⋯π inter-action.

| S-EPMC3238815 | biostudies-literature

[1,4-Phenyl-enebis(methyl-ene)]bis-(tri-phenyl-phospho-nium) bis-(tetra-fluoro-borate).

Project description:The crystal structure of the title salt, C(44)H(38)P(2) (2+)2BF(4) (-), consists of discrete dications inter-laced with the BF(4) (-) counter-ions. In each cation, both phospho-nium groups lie on the same side of the plane of the central benzene ring. The tetra-fluoro-borate anions are involved in intensive thermal motion, thus some B-F bond lengths [range 1.329 (6) to 1.391 (6) Å] deviate significantly from their standard values.

| S-EPMC3239032 | biostudies-literature

1,1'-{2,2'-[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(2,1-phenyl-ene)}diethanone.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains one half-mol-ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49 (5)° with the terminal benzene ring. In the crystal, adjacent mol-ecules are linked through C-H⋯O inter-actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via π-π inter-actions formed between the terminal benzene rings [centroid-centroid separation = 3.7276 (6) Å].

| S-EPMC3247415 | biostudies-literature

1,5-Bis(1-phenyl-ethyl-idene)thio-carbono-hydrazide.

Project description:The title mol-ecule, C(17)H(18)N(4)S, is not planar, as indicated by the dihedral angle of 27.24?(9)° between the two benzene rings. In the crystal, inter-molecular N-H?S hydrogen bonds link pairs of mol-ecules into inversion dimers.

| S-EPMC3120603 | 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