Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,5-Diphenyl-penta-2,4-dienenitrile.

ABSTRACT: In the title compound, C(17)H(13)N, the dihedral angle between the two phenyl rings is 17.6?(1)°. An inter-molecular C-H?N hydrogen bond is found in the crystal structure, also a C-H?? inter-action involving the phenyl ring at position 5.

SUBMITTER: Archana R

PROVIDER: S-EPMC2971126 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,5-Diphenyl-penta-2,4-dienenitrile.

Archana R R Balamurugan A A Manimekalai A A Thiruvalluvar A A Butcher R J RJ

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

In the title compound, C(17)H(13)N, the dihedral angle between the two phenyl rings is 17.6 (1)°. An inter-molecular C-H⋯N hydrogen bond is found in the crystal structure, also a C-H⋯π inter-action involving the phenyl ring at position 5. ...[more]

PMID: 21578526

Similar Datasets

3,4-Diphenyl-2,5-bis-(trimethyl-silyl)cyclo-penta-dienone.

Project description:In the title compound, C(23)H(28)OSi(2), the five-membered ring is essentially planar and the phenyl rings are oriented with respect to the mean plane of this ring by 56.01 (3) and 56.68 (4)°.

| S-EPMC2959724 | biostudies-literature

(2E,5E)-2,5-Difurfurylidenecyclo-penta-none.

Project description:In the title mol-ecule, C(15)H(12)O(3), the three five-membered rings are nearly coplanar: the dihedral angles between the cyclopentanone ring and the furan rings are 3.5?(2) and 9.7?(2)°, and the two furan rings form a dihedral angle of 7.2?(2)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds help to consolidate the crystal packing.

| S-EPMC2971775 | biostudies-literature

Chlorido(chloro-diphenyl-phosphine-κP)(diphenyl-piperidinophosphine-κP)(η-penta-methyl-cyclo-penta-dien-yl)ruthenium(II).

Project description:The title compound, [Ru(C(10)H(15))Cl(C(12)H(10)ClP)(C(17)H(20)NP)], is a half-sandwich complex of Ru(II) with the chloro-diphenyl-phosphine ligand formed from the diphenyl-piperidinophosphine and chlorine of the precursor complex [Ru(η(5)-C(5)Me(5))(κ(1)P-Ph(2)PNC(5)H(10))Cl(2)] by an unexpected reaction with NaBH(4). The complex has a three-legged piano-stool geometry, with Ru-P bond lengths of 2.2598 (5) Å for the chloro-phosphine and 2.3303 (5) Å for the amino-phosphine.

| S-EPMC2977503 | biostudies-literature

6-Methyl-2,4-diphenyl-quinoline.

Project description:The mol-ecules of the title compound, C(22)H(17)N, are linked by weak inter-actions, among which the most prominent are C-H⋯π inter-actions. The dihedral angles between the phenyl rings and the quinoline ring system are 43.3 (3) and 21.4 (3)°. The title product resulted from a three-component reaction of benzaldehyde, 1-ethynylbenzene and p-toluidine via C-H activation of 1-ethynylbenzene catalyzed by CuI in the ionic liquid 1-butyl-3-methyl-imidazolium hexa-fluoro-phosphate.

| S-EPMC2961894 | biostudies-literature

3-Ethyl-sulfanyl-2,5-diphenyl-1-benzofuran.

Project description:In the title compound, C(22)H(18)OS, the 2-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 29.18?(6)°. The dihedral angle between the 5-phenyl ring and the benzofuran plane is 20.42?(5)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?? inter-actions.

| S-EPMC3007278 | biostudies-literature

1,4-Bis(dimethyl-silyl)-2,5-diphenyl-benzene.

Project description:The mol-ecule of the title compound, C(22)H(26)Si(2), is centrosymmetric. The dihedral angle between the central benzene ring and its phenyl substituents is 67.7?(2)°. The crystal packing is stabilized by van der Waals forces.

| S-EPMC2983822 | biostudies-literature

Diethyl 2,5-diphenyl-furan-3,4-dicarboxyl-ate.

Project description:In the title compound, C(22)H(20)O(5), the substituted benzene rings are twisted away from the furan ring, making dihedral angles of 54.91?(14) and 20.96?(15)° with the furan ring. The dihedral angle between the two benzene rings is 46.89?(13)°. One ethyl group of one eth-oxy-carbonyl unit is disordered over two sets of sites with occupancies of 0.56?(12) and 0.44?(12). In the crystal, weak intra-molecular C-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3011628 | biostudies-literature

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

3-Penta-none 2,4-dinitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(11)H(14)N(4)O(4), were obtained from a condensation reaction of 2,4-dinitro-phenyl-hydrazine and 3-penta-none. In the crystal structure, the mol-ecule, except one methyl group, displays a nearly planar structure. The imino group links to the adjacent nitro group via intra-molecular hydrogen bonding. The partially overlapped arrangement and face-to-face separation of 3.410 (9) Å between parallel benzene rings indicate the existence of π-π stacking between adjacent mol-ecules. The crystal structure also contains weak inter-molecular C-H⋯O hydrogen bonding.

| S-EPMC2961742 | biostudies-literature

trans-5,6-Diphenyl-perhydro-pyran-2,4-dione.

Project description:In the title compound, C(17)H(14)O(3), the pyran ring adopts a boat conformation and the dihedral angle between the aromatic ring planes is 59.1?(1)°. In the crystal structure inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions link the mol-ecules.

| S-EPMC2968273 | 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