Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,5-Bis(penta-fluoro-phen-yl)-3-phenyl-pent-2-ene-1,5-dione.

ABSTRACT: In the title compound, C(23)H(8)F(10)O(2), the three arene rings are twisted one with respect to the other: the two perfluorinated arene rings are tilted to each other by an angle of 60.39?(7)°. They are inclined to the non-fluorinated phenyl unit by 38.85?(7) and 78.74?(7)°. The olefinic double bond adopts an E configuration. The carbonyl groups are not in a coplanar alignment with reference to the neighbouring arene rings. The crystal packing features a number of weak C-H?F inter-actions, which leads to the formation of a three-dimensional network.

SUBMITTER: Schwarzer A

PROVIDER: S-EPMC2971416 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,5-Bis(penta-fluoro-phen-yl)-3-phenyl-pent-2-ene-1,5-dione.

Schwarzer Anke A Weber Edwin E

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

In the title compound, C(23)H(8)F(10)O(2), the three arene rings are twisted one with respect to the other: the two perfluorinated arene rings are tilted to each other by an angle of 60.39 (7)°. They are inclined to the non-fluorinated phenyl unit by 38.85 (7) and 78.74 (7)°. The olefinic double bond adopts an E configuration. The carbonyl groups are not in a coplanar alignment with reference to the neighbouring arene rings. The crystal packing features a number of weak C-H⋯F inter-actions, whic ...[more]

PMID: 21578393

Similar Datasets

1-Cyclo-propyl-2-(2-fluoro-phen-yl)-5-(4-fluoro-phen-yl)-3-phenyl-pentane-1,5-dione.

Project description:In the title compound, C(26)H(22)F(2)O(2), the cyclo-propane ring makes dihedral angles of 47.6?(2), 51.3?(2) and 63.9?(2)° with the 2-fluoro-substituted phenyl ring, the unsubstituted phenyl ring and the 4-fluoro-substituted phenyl ring, respectively. There is a short C-H?F contact in the molecule. In the crystal, weak C-H?F hydrogen bonds lead to chains of mol-ecules extending along the b-axis direction.

| S-EPMC3569750 | biostudies-literature

(m-Phenyl-enedimethyl-ene)bis-(triphenyl-phospho-nium) bis-[chlorido(penta-fluoro-phen-yl)aurate(I)] dichloro-methane disolvate.

Project description:The title compound, (C(44)H(38)P(2))[AuCl(C(6)F(5))](2)·2CH(2)Cl(2), crystallizes with a twofold rotation axis through the central benzene ring in the bis-phospho-nium dication. In the crystal, the dications and anions are ordered into columns running parallel to the c axis by contacts of the pro-ylidic CH(2) groups with the Cl atom of one and an ortho-F atom of another anion. The space between the columns is occupied by CH(2)Cl(2) solvent mol-ecules.

| S-EPMC2971990 | biostudies-literature

3-(4-Chloro-phen-yl)-1-cyclo-propyl-2-(2-fluoro-phen-yl)-5-phenyl-pentane-1,5-dione.

Project description:In the title compound, C26H22ClFO2, the cyclo-propane ring is disordered over two orientations, with site-occupancy factors of 0.64 (2) and 0.36 (2). The major occupancy component of the cyclo-propane ring makes dihedral angles of 47.6 (7), 50.4 (7) and 65.4 (7)° with the fluoro-, chloro- and unsubstituted benzene rings, respectively [the corresponding values for the minor occupancy component are 47.6 (12), 51.0 (12) and 60.9 (12)°]. An intra-molecular C-H⋯O hydrogen bond occurs. The F and Cl atoms deviate by 0.0508 (12) and 0.0592 (7) Å from the planes of their attached benzene rings. In the crystal, C-H⋯F hydrogen bonds link the mol-ecules into chains along the b-axis direction.

| S-EPMC3648332 | biostudies-literature

5-(4-Chloro-phen-yl)-1-cyclo-propyl-2-(2-fluoro-phen-yl)-3-phenyl-pentane-1,5-dione.

Project description:In the title compound, C(26)H(22)ClFO(2), the cyclo-propane ring makes dihedral angles of 45.7 (2), 49.0 (2) and 65.2 (2)° with the fluoro-substituted phenyl ring, the benzene ring and the chloro-substituted phenyl ring, respectively. The F and Cl atoms deviate by 0.0307 (11) and 0.0652 (6) Å, respectively, from the planes of the phenyl rings to which they are attached. In the crystal, mol-ecules are linked by C-H⋯F hydrogen bonds, forming chains along the b axis.

| S-EPMC3569784 | biostudies-literature

3-(4-Methoxy-phen-yl)pent-2-ene-1,5-dioic acid.

Project description:In the title compound, C(12)H(12)O(5), mol-ecules are linked into anti-parallel hydrogen-bonded sheets through inversion dimers generated via two O-H⋯O hydrogen bonds. Using the R(2) (2)(8) motif as a building block, hydrogen-bonded chains of a C(2) (2)(8) superstructure are then generated.

| S-EPMC2959923 | biostudies-literature

1,5-Bis(4-bromo-phen-yl)-3-phenyl-pentane-1,5-dione.

Project description:The asymmetric unit of the title compound, C(23)H(18)Br(2)O(2), contains two independent mol-ecules with slightly different conformations. In the absence of classical inter-molecular inter-actions, the crystal packing is stabilized by van der Waals forces.

| S-EPMC2960541 | biostudies-other

1,5-Bis(4-chloro-phen-yl)-3-(4-methyl-phen-yl)pentane-1,5-dione.

Project description:In the title mol-ecule, C24H20Cl2O2, the central methyl-benzene ring forms dihedral angles of 42.47?(10) and 34.34?(10)° with the terminal 4-chloro-phenyl fragments. The dihedral angle between the chloro-benzene rings is 34.45?(11)°. A weak intra-molecular C-H?O inter-action generates an S(6) ring motif. The crystal packing exhibits weak C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3790380 | biostudies-literature

1,5-Bis(4-chloro-phen-yl)-3-[4-(dimethyl-amino)phen-yl]pentane-1,5-dione.

Project description:In the title mol-ecule, C(25)H(23)Cl(2)NO(2), the central benzene ring forms dihedral angles of 81.88?(7) and 89.22?(7)° with the two 4-chloro-phenyl fragments. The crystal packing exhibits weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distance 3.724?(3)?Å].

| S-EPMC2968596 | biostudies-literature

1,5-Bis(thio-phen-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)pentane-1,5-dione.

Project description:In the title 1,5-diketone compound, C(22)H(22)O(5)S(2), the benzene ring makes dihedral angles of 41.51 (6) and 25.83 (6)° with the two thio-phene rings, while the dihedral angle between the thio-phene rings is 26.67 (7)°. An intra-molecular C-H⋯O inter-action generates an S(9) ring motif. In the crystal, mol-ecules are linked into a three-dimensional network by weak C-H⋯O and C-H⋯π inter-actions, and a π-π inter-action with a centroid-centroid distance of 3.6527 (8) Å.

| S-EPMC3239053 | biostudies-literature

1,5-Bis(4-chloro-phen-yl)-3-(2-thien-yl)pentane-1,5-dione.

Project description:In the title mol-ecule, C(21)H(16)Cl(2)O(2)S, the five-membered ring is rotationally disordered between two orientations in a 1:1 ratio. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains, which are further combined into layers parallel to the bc plane via C-H⋯π inter-actions. The crystal studied was a racemic twin with a 0.37 (19):0.63 (19) domain ratio.

| S-EPMC2959928 | 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