Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,4-Diphenyl-butane-1,4-dione.

ABSTRACT: The asymmetric unit of the title compound, C(16)H(14)O(2), contains one half-mol-ecule, located on a twofold rotation axis. In the mol-ecule, the two benzene rings form a dihedral angle of 72.28 (2)°.

SUBMITTER: Wang Z

PROVIDER: S-EPMC2959847 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,4-Diphenyl-butane-1,4-dione.

Wang Zhigang Z

Acta crystallographica. Section E, Structure reports online 20081122 Pt 12

The asymmetric unit of the title compound, C(16)H(14)O(2), contains one half-mol-ecule, located on a twofold rotation axis. In the mol-ecule, the two benzene rings form a dihedral angle of 72.28 (2)°. ...[more]

PMID: 21581391

Similar Datasets

1,4-Dibromo-butane-2,3-dione.

Project description:The asymmetric unit of the title compound, C(4)H(4)Br(2)O(2), contains one half-mol-ecule, being located about a centre of inversion. In the crystal, there are no significant inter-molecular inter-actions.

| S-EPMC3515323 | biostudies-literature

1,4-Bis(4-chloro-phen-yl)butane-1,4-dione.

Project description:The mol-ecule of title compound, C(16)H(12)Cl(2)O(2), is centrosymmetric. Thus, the asymmetric unit comprises two half-mol-ecules. The two benzene rings are coplanar in each independent molecule (dihedral angles = 0°). The crystal packing exhibits inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2959836 | biostudies-literature

1,4-Bis(thio-phen-2-yl)butane-1,4-dione.

Project description:In the centrosymmetric title compound, C(12)H(10)O(2)S(2), the alkyl chains adopt a fully extended all-trans conformation with respect to the C(thio-phene)-C bond. The non-H atoms of the mol-ecule are nearly planar, with a maximum deviation of 0.063 (2) Å from the mean plane of the constituent atoms. In the crystal, symmetry-related mol-ecules are linked via pairs of C-H⋯π contacts [H-centroid distances of the thio-phene units = 2.79 (9) and 2.82 (4) Å], in turn inter-digitating with each other along the bc plane, thus leading to an inter-woven two-dimensional network.

| S-EPMC3295471 | biostudies-literature

1,4-Bis(4-chloro-phen-yl)-2-hydroxy-butane-1,4-dione.

Project description:In the title compound, C(16)H(12)Cl(2)O(3), the benzene rings form a dihedral angle of 2.0 (3)°. Within the central O=C-CH(2)C(H)OH-C=O unit, the carbonyl groups are coplanar and lie to opposite sides [O-C⋯C-O = -170.1 (6)°]. In the crystal, inter-molecular O-H⋯O hydrogen bonds formed between the hydr-oxy groups lead to a supra-molecular chain along the c axis. In addition, the crystal packing features some very weak C-H⋯π inter-actions.

| S-EPMC2979451 | biostudies-literature

3,3'-Diphenyl-1,1'-(butane-1,4-di-yl)dithio-urea.

Project description:The asymmetric unit of the title compound, C(18)H(22)N(4)S(2), contains one half-mol-ecule, the complete mol-ecule being generated by crystallographic inversion symmetry. The crystal structure features two inter-molecular N-H⋯S hydrogen-bonding inter-actions, the first generating an infinite chain along the b axis and the second an infinite chain along the a axis, together forming an inter-locking structure.

| S-EPMC3200795 | biostudies-literature

5,5'-Diphenyl-2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-oxadiazole).

Project description:The complete mol-ecule of the title compound, C(20)H(18)N(4)O(2)S(2), is generated by crystallographic inversion symmetry. The benzene ring is almost coplanar with the oxadiazole ring [dihedral angle = 7.2?(2)°].

| S-EPMC3009329 | biostudies-literature

2,5-Dihexyl-3,6-diphenyl-pyrrolo-[3,4-c]pyrrole-1,4(2H,5H)-dione.

Project description:The asymmetric unit of the title compound, C(30)H(36)N(2)O(2), contains one half-mol-ecule, the other half being generated by a crystallographic inversion centre. The crystal structure is devoid of any classical hydrogen bonds however, non-classical C-H⋯O inter-actions link the mol-ecules into chains propagating in [001] and a C-H⋯π inter-action leads to the formation of a two-dimensional network in (011).

| S-EPMC3006905 | biostudies-literature

[1,4-Bis(diphenyl-phosphan-yl)butane-κP,P']chlorido(η-inden-yl)ruthenium(II).

Project description:Facile ligand substitution is observed when the ruthenium chloride complex [Ru(η(5)-C(9)H(7))Cl(PPh(3))(2)] is treated with 1,4-bis-(diphenyl-phosphan-yl)butane in refluxing toluene yielding the title compound, [Ru(C(9)H(7))Cl(C(28)H(28)P(2))]. The Ru(II) atom has a typical piano-stool coordination, defined by the indenyl ligand, one Cl atom and two phosphanyl P atoms. The Ru-P bond lengths are 2.2502 (9) and 2.2968 (8) Å.

| S-EPMC3089106 | biostudies-literature

1,4-Diferrocenylbutane-1,4-dione.

Project description:In the crystal structure of the title compound, [Fe(2)(C(5)H(5))(2)(C(14)H(12)O(2))], each carbonyl group is coplanar with the adjacent cyclo-penta-dienyl ring, thus maximizing the ?-orbital overlap and electronic inter-actions between the groups. In the crystal structure, there are inter- and intra-molecular C-H?O contacts.

| S-EPMC2960868 | biostudies-other

4-Oxo-2,4-diphenyl-butane-nitrile.

Project description:The title mol-ecule, C(16)H(13)NO, is twisted, the dihedral angle between the terminal phenyl rings being 68.40?(6)°. In the crystal, C-H?O and C-H?N inter-actions lead to supra-molecular layers in the bc plane.

| S-EPMC3295505 | 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