Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-N-(3,3-Di-phenyl-allyl-idene)-2-(tri-fluoro-meth-yl)aniline.

ABSTRACT: In the title compound, C22H16F3N, the C=N bond of the central imine group adopts an E conformation. The dihedral angles between the 2-(tri-fluoro-meth-yl)phenyl ring and the benzene rings are 9.34?(1) and 68.8?(1)°. The imine group displays a C-C-N=C torsion angle of 41.6?(3)°. In the crystal, weak C-H?F hydrogen bonds link the mol-ecules into chains parallel to the b-axis direction.

SUBMITTER: Yu BY

PROVIDER: S-EPMC3648283 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-N-(3,3-Di-phenyl-allyl-idene)-2-(tri-fluoro-meth-yl)aniline.

Yu Byung-Yong BY Lee Ji Eun JE Cho Yong Seo YS Cha Joo Hwan JH Lee Jae Kyun JK

Acta crystallographica. Section E, Structure reports online 20130420 Pt 5

In the title compound, C22H16F3N, the C=N bond of the central imine group adopts an E conformation. The dihedral angles between the 2-(tri-fluoro-meth-yl)phenyl ring and the benzene rings are 9.34 (1) and 68.8 (1)°. The imine group displays a C-C-N=C torsion angle of 41.6 (3)°. In the crystal, weak C-H⋯F hydrogen bonds link the mol-ecules into chains parallel to the b-axis direction. ...[more]

PMID: 23723903

Similar Datasets

4-Fluoro-N-[(E)-3,4,5-tri-meth-oxy-benzyl-idene]aniline.

Project description:The title compound, C16H16FNO3, exists in a trans configuration with respect to the C=N bond [1.258?(2)?Å]. The central meth-oxy O atom deviates from the plane of the attached benzene ring by 0.0911?(14)?Å. The dihedral angle between the aromatic rings is 47.58?(11)°. The crystal structure features C-H?N and C-H?O inter-actions.

| S-EPMC3793738 | biostudies-literature

(E)-N-(3,3-Di-phenyl-allyl-idene)naph-thal-en-1-amine.

Project description:The title compound, C25H19N, adopts an E conformation about the C=N bond. The naphthalene ring system and the phenyl rings form dihedral angles 38.1 (1), 46.9 (8) and 48.5 (1)°, respectively, with the mean plane of the central enimino fragment. The crystal packing exhibits no directional close contacts.

| S-EPMC3772462 | biostudies-literature

2-[4-(Tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoic acid.

Project description:In the title compound, C14H9F3O2S, the dihedral angle between the mean planes of the benzene rings is 88.7?(2)°. The carb-oxy-lic acid group is twisted by 13.6?(7)° from the mean plane of its attached aromatic ring. One of the F atoms of the tri-fluoro-methyl group is disordered over two sites in a 0.61?(7):0.39?(7) ratio. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R 2 (2)(8) loops. Weak C-H?F inter-actions are also observed.

| S-EPMC3884354 | biostudies-literature

Methyl 2-[4-(tri-fluoro-meth-yl)phenyl-sulfan-yl]benzoate.

Project description:In the title compound, C15H13F3O2S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.6 (1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the tri-fluoro-methyl group with an occupancy ratio of 0.54 (6):0.46 (6). In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C-H⋯π inter-actions, leading to the formation of a three-dimensional supra-molecular structure.

| S-EPMC3884328 | biostudies-literature

(E)-N-(3,3-Diphenyl-allyl-idene)-4-nitro-aniline.

Project description:In the title compound, C(21)H(16)N(2)O(2), the dihedral angles between the mean planes of the 4-nitro-phenyl ring and the two phenyl rings are 57.3?(5) and 16.8?(6)°. The imine group displays a C-C-N-C torsion angle of -24.9?(3)°.

| S-EPMC3470385 | biostudies-literature

(E)-N-(3,3-Diphenyl-allyl-idene)-3-nitro-aniline.

Project description:In the title compound, C(21)H(16)N(2)O(2), the 3-nitro-phenyl and two phenyl rings are twisted from the mean plane of the enimino fragment by 44.4?(1), 37.2?(1) and 74.1?(1)°, respectively. The crystal packing exhibits no classical inter-molecular contacts.

| S-EPMC3470384 | biostudies-literature

4-Chloro-N-(3-phenyl-allyl-idene)aniline.

Project description:In the title mol-ecule, C(15)H(12)ClN, the C=N and C=C bond lengths are 1.273 (2) and 1.324 (2) Å, respectively. The two aromatic rings form a dihedral angle of 3.27 (3)°.

| S-EPMC2959977 | biostudies-literature

(Z)-N-[1-(Aziridin-1-yl)-2,2,2-tri-fluoro-ethyl-idene]-4-bromo-aniline.

Project description:The title compound, C10H8BrF3N2, crystallizes with two independent mol-ecules in the asymmetric unit, which can be considered as being related by a pseudo-inversion center, so their conformations are different; the corresponding N=C-N-C torsion angles are 54.6?(5) and -50.5?(5)°. In the crystal, mol-ecules related by translation in [001] inter-act through short inter-molecular Br?F contacts [3.276?(2) and 3.284?(2)?Å], thus forming two types of crystallographically independent chains.

| S-EPMC4011223 | biostudies-literature

Crystal structure of (pyridin-2-yl-methyl-idene)(tri-phenyl-meth-yl)amine.

Project description:The title Schiff base compound, C25H20N2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the imine group is approximately coplanar with the pyridine ring, with N-C-C-N torsion angles of 170.1?(3) and -172.0?(3)?Å. In the crystal, A and B dimers are linked by pairs of C-H?? inter-actions and further C-H?? bonds link the dimers into a three-dimensional network.

| S-EPMC4257176 | biostudies-literature

A kryptoracemic salt: 2-{[2,8-bis-(tri-fluoro-meth-yl)quinolin-4-yl](hy-droxy)meth-yl}piperidin-1-ium (+)-3,3,3-tri-fluoro-2-meth-oxy-2-phenyl-propanoate.

Project description:The asymmetric unit of the title salt, C17H17F6N2O(+)·C10H8F3O3 (-), comprises two piperidin-1-ium cations and two carboxyl-ate anions. The cations, each having an l-shaped conformation owing to the near orthogonal relationship between the quinolinyl and piperidin-1-ium residues, are pseudo-enanti-omeric. The anions have the same absolute configuration but differ in the relative orientations of the carboxyl-ate, meth-oxy and benzene groups. Arguably, the most prominent difference between the anions occurs about the Cq-Om bond as seen in the Cc-Cq-Om-Cm torsion angles of -176.1?(3) and -67.1?(4)°, respectively (q = quaternary, m = meth-oxy and c = carboxyl-ate). The presence of Oh-H?Oc and Np-H?Oc hydrogen bonds leads to the formation of a supra-molecular chain along the a axis (h = hy-droxy and p = piperidin-1-ium); weak intra-molecular Np-H?Oh hydrogen bonds are also noted. Chains are connected into a three-dimensional architecture by C-H?F inter-actions. Based on a literature survey, related mol-ecules/cations adopt a uniform conformation in the solid state based on the letter L.

| S-EPMC4908568 | 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