Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[4-(2-Amino-anilino)phen-yl]-2,2,2-trifluoro-ethanone.

ABSTRACT: In the title compound, C(14)H(11)F(3)N(2)O, the two aromatic rings are oriented at a dihedral angle of 70.84?(8)°. The crystal structure displays inter-molecular N-H?O and N-H?F inter-actions.

SUBMITTER: Dorn A

PROVIDER: S-EPMC2979181 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-[4-(2-Amino-anilino)phen-yl]-2,2,2-trifluoro-ethanone.

Dorn Angelika A Schollmeyer Dieter D Laufer Stefan A SA

Acta crystallographica. Section E, Structure reports online 20100424 Pt 5

In the title compound, C(14)H(11)F(3)N(2)O, the two aromatic rings are oriented at a dihedral angle of 70.84 (8)°. The crystal structure displays inter-molecular N-H⋯O and N-H⋯F inter-actions. ...[more]

PMID: 21579196

Similar Datasets

2,2,2-Trifluoro-1-[3-(2,2,2-trifluoro-acet-yl)azulen-1-yl]ethanone.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(14)H(6)F(6)O(2), in which the azulene systems possess an almost planar geometry with maximum deviations of 0.0438?(15) and 0.0396?(14)?Å. Besides intra- and inter-molecular C-H?O and C-H?F inter-actions, the structure displays three F?F contacts [2.793?(2), 2.8820?(17) and 2.9181?(16)?Å]. Furthermore, a characteristic azulene ?-stacking is observed with an alternating sequence of electron-rich five-membered rings and electron-deficient seven-membered rings [centroid-centroid distances = 3.5413?(12), 3.6847?(12), 3.5790?(12) and 3.7718?(12)?Å].

| S-EPMC3120490 | biostudies-literature

1,1'-(4,4'-Bipiperidine-1,1'-di-yl)bis-(2,2,2-trifluoro-ethanone).

Project description:The title compound, C(14)H(18)F(6)N(2)O(2), has a central center of symmetry with both piperidine rings occurring in regular chair conformations. Even though the structure is fairly compact with no sizable voids, the shortest H?O distance is as long as 2.58?Å.

| S-EPMC3151791 | biostudies-literature

1-{5-[2-Chloro-5-(trifluoro-meth-yl)phen-yl]thio-phen-2-yl}ethanone.

Project description:In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoro-meth-yl)phenyl and tiophene rings is 54.37 (5)°. The acethyl group is twisted by 8.1 (2)° with respect to the thio-phene ring. The CF(3) group is disordered over two sets of sites with occupations of 0.49 (3) and 0.51 (3). The crystal packing features C-H⋯F and C-H⋯O hydrogen bonds, forming dimers which are connected into chains along the c axis by C-H⋯O hydrogen bonds and C-Cl⋯π [Cl⋯π = 3.415 (1) Å and C-Cl⋯π = 151.56 (5)°] inter-actions. The chains are further connected into layers perpendicular to the a axis by C-H⋯O inter-actions.

| S-EPMC3052071 | biostudies-literature

Diethyl [2,2,2-trifluoro-1-phenyl-sulfonyl-amino-1-(trifluoro-meth-yl)eth-yl]phospho-nate.

Project description:The title compound, C(13)H(16)F(6)NO(5)PS, is of inter-est with respect to inhibition of serine hydro-lases. Its structure contains a 1.8797 (13) Å P-C bond and two inter-molecular N-H⋯O=P hydrogen bonds, resulting in centrosymmetric dimers. An intra-molecular N-H⋯O=P hydrogen bond is also present.

| S-EPMC2600860 | biostudies-literature

2-(4-Chloro-anilino)-1-(4-chloro-phen-yl)ethanone.

Project description:In the title compound, C(14)H(11)Cl(2)NO, the benzene rings form a dihedral angle of 3.14?(6)°. Overall, the mol-ecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054?Å). No significant directional inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3239017 | biostudies-literature

3-{1-[2-(2-Chloro-phen-yl)hydrazinyl-idene]-2,2,2-trifluoro-eth-yl}-7-diethyl-amino-2H-chromen-2-one.

Project description:The title compound, C(21)H(19)ClF(3)N(3)O(2), has a structure related to other coumarin derivatives that have been used as fluorescent probes of metal ions. The dihedral angle between the coumarin ring system and the chlorobenzene ring is 42.99 (9)°. Intra-molecular hydrogen bonding occurs via N-H⋯O and N-H⋯Cl inter-actions, generating S(7) and S(5) rings, respectively. The crystal packing is stabilized by weak C-H⋯O hydrogen bonds.

| S-EPMC3200584 | biostudies-literature

1-(4,5-Dinitro-10-aza-tricyclo-[6.3.1.0]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone.

Project description:In the title compound, C(13)H(10)F(3)N(3)O(5), a derivative of andrographolide, the five-membered ring adopts an envelope conformation, while the non-planar six-membered ring has a chair conformation. An intra-molecular C-H⋯F hydrogen bond results in the formation of a non-planar six-membered ring adopting a twisted conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2959852 | biostudies-literature

(E)-1-(4-Methyl-phen-yl)ethanone [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

Project description:In the title compound, C(19)H(16)F(3)N(3), the dihedral angle between the naphthalene and quinoline ring systems is 14.58?(8)°. The hydrazone C-N-N=C-C chain is in an extended conformation and its mean plane is nearly coplanar with the quinoline plane [dihedral angle = 3.45?(9)°]. The bond angles within the phenyl ring show the almost additive influence of the two para substituents. In the crystal, weak ?-? [centroid-centroid distances = 3.779?(2) and 3.718?(1)?Å] and C-H?F directional inter-actions join the mol-ecules into centrosymmetric dimers, which are further connected into infinite zigzag chains propagating along a.

| S-EPMC2984078 | biostudies-literature

(E)-1-(4-Amino-phen-yl)ethanone oxime.

Project description:In the mol-ecule of the title compound, C(8)H(10)N(2)O, the oxime group is oriented at a dihedral angle of 5.58 (3)° with respect to the benzene ring. In the crystal structure, inter-molecular O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC2959509 | biostudies-literature

N-{Bis[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide.

Project description:In the asymmetric unit of the crystal structure of the title compound, C(16)H(17)Cl(3)N(3)O(2)P, there are two crystallograph-ically independent mol-ecules, which form dimers via N-H?O hydrogen bonding between the N-H group and the P=O group. In the mol-ecular structure, the phosphoryl group is anti to the carbonyl group. The two benzene rings are oriented at dihedral angles of 54.3?(2) and 49.7?(2)° in the two independent mol-ecules.

| S-EPMC2971180 | 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