Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Meth-oxy-2-nitro-4'-(trifluoro-meth-yl)biphen-yl.

ABSTRACT: The title compound, C(14)H(10)F(3)NO(3), was prepared by a palladium-catalysed Suzuki-Miyaura coupling reaction. The dihedral angle between the nitro group and its parent benzene ring is 66.85?(19)° while the dihedral angle between the two benzene rings is 49.98?(9)°. The CF(3) group is disordered over two sets of sites with occupancies of 0.457?(8) and 0.543?(8).

SUBMITTER: Hou YJ

PROVIDER: S-EPMC3247329 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Meth-oxy-2-nitro-4'-(trifluoro-meth-yl)biphen-yl.

Hou Yan-Jun YJ Li Xin-Min XM Chu Wen-Yi WY Sun Zhi-Zhong ZZ

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

The title compound, C(14)H(10)F(3)NO(3), was prepared by a palladium-catalysed Suzuki-Miyaura coupling reaction. The dihedral angle between the nitro group and its parent benzene ring is 66.85 (19)° while the dihedral angle between the two benzene rings is 49.98 (9)°. The CF(3) group is disordered over two sets of sites with occupancies of 0.457 (8) and 0.543 (8). ...[more]

PMID: 22219947

Similar Datasets

4-Meth-oxy-3-nitro-biphen-yl.

Project description:In the title compound, C(13)H(11)NO(3), the dihedral angle between the two benzene rings is 36.69?(2)° and the nitro and methy-oxy groups are oriented at 29.12?(14) and 2.14?(12)° with respect to the benzene ring to which they are bonded.

| S-EPMC3254461 | biostudies-literature

3,4-Dimeth-oxy-4'-nitro-1,1'-biphen-yl.

Project description:The title compound, C(14)H(13)NO(4), was prepared through a palladium-catalysed Suzuki-Miyaura coupling reaction. The asymmetric unit comprises two mol-ecules related by pseudo-inversion symmetry. The dihedral angles between the benzene rings in the two mol-ecules are 44.30?(6) and 48.50?(6)° while those between the benzene ring and the nitro group are 6.54?(13) and 5.73?(10)°. The crystal packing is defined only by Van der Waals inter-actions.

| S-EPMC3344440 | biostudies-literature

4-Meth-oxy-3-(trifluoro-meth-yl)aniline.

Project description:In title compound, C(8)H(8)F(3)NO, the meth-oxy group is inclined at 8.7?(4)° to the benzene ring plane. The crystal structure is stabilized by inter-molecular N-H?F, N-H?N and C-H?F hydrogen-bonding inter-actions.

| S-EPMC3275055 | biostudies-literature

3,3'-Bis(chloro-meth-yl)-4,4'-dieth-oxy-1,1'-biphen-yl.

Project description:The asymmetric unit of the title compound, C18H20Cl2O2, consists of a half-mol-ecule, the other half being generated by an inversion center, located at the mid-point of the benzene-benzene bond. Except for the two Cl atoms, all other atoms of the compound are nearly coplanar, with the atomic displacements from the mol-ecular mean plane ranging from 0.0037 (19) to 0.071 (2) Å. The two Cl atoms are in trans positions and are displaced with respect to the mean plane by 1.687 (2) and -1.693 (3) Å. The crystal packing is governed by van der Waals inter-actions.

| S-EPMC3998594 | biostudies-literature

3,3,3-Trifluoro-2-hydr-oxy-2-(trifluoro-meth-yl)propionic acid.

Project description:In the title perfluorinated hy-droxy-isobutyric acid derivative, C4H2F6O3, the mol-ecule shows approximately Cs symmetry. The carb-oxy group is nearly coplanar with the C-OH moiety and the O=C-C-O(H) torsion angle is 5.5?(2)°. An intra-molecular O-H?O hydrogen bond occurs. In the crystal, O-H?O hydrogen bonds connect the mol-ecules into supra-molecular chains along the a-axis direction.

| S-EPMC3588467 | biostudies-literature

3-Meth-oxy-2-[2-({[6-(trifluoro-meth-yl)pyridin-2-yl]-oxy}meth-yl)phen-yl]prop-2-enoic acid.

Project description:The title mol-ecule, C(17)H(14)F(3)NO(4), consists of two nearly planar fragments, viz. the 2-benzyl-oxypyridine (r.m.s. deviation 0.016?Å) and (E)-3-meth-oxy-prop2-enoic (r.m.s. deviation 0.004?Å) units, which form a dihedral angle of 84.19?(7)°. In the crystal, pairs of O-H?O hydrogen bonds link mol-ecules into dimers that are further connected by C-H?O and C-H?F inter-actions into (001) layers. In addition, ?-? stacking inter-actions are observed within a layer between the pyridine and benzene rings [centroid-centroid distance = 3.768?(2)?Å]. The F atoms of the trifluoro-methyl group are disordered over two sets of sites in a 0.53?(4):0.47?(4) ratio.

| S-EPMC3515258 | biostudies-literature

2-[(E)-(Naphthalen-2-yl-imino)-meth-yl]-4-(trifluoro-meth-oxy)phenol.

Project description:In the title compound, C(18)H(12)F(3)NO(2), the planes of the benzene ring and the naphthalene system form a dihedral angle of 47.21 (3)°. The hy-droxy group is involved in an intra-molecular O-H⋯N hydrogen bond. In the crystal, weak C-H⋯O and C-H⋯F inter-actions link the mol-ecules related by translations along the c and a axes, respectively, into sheets.

| S-EPMC3343988 | biostudies-literature

Crystal structure of (E)-1-(4'-meth-oxy-[1,1'-biphen-yl]-4-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C22H17NO4, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. Each mol-ecule exists as an E isomer with C-C=C-C torsion angles of -175.69 (17) and -178.41 (17)° in A and B, respectively. In mol-ecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitro-phenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in mol-ecule B are 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, mol-ecules are arranged in a head-to-head manner, with the 3-nitro-phenyl groups nearly parallel to one another. The A and B mol-ecules are linked to one another via C-H⋯O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R 2 (2)(10) and R 2 (2)(12) ring motifs. The meth-oxy group in both mol-ecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for mol-ecule A and 0.55 (4):0.45 (4) for mol-ecule B.

| S-EPMC4331905 | biostudies-literature

4-Bromo-2-[(E)-{[4-nitro-2-(trifluoro-meth-yl)phen-yl]imino}-meth-yl]phenol.

Project description:Except two F atoms of the -CF(3) group, the title compound, C(14)H(8)BrF(3)N(2)O(3), has an almost planar conformation, the dihedral angle between the aromatic rings being 3.60?(16)°. The mol-ecule adopts the enol-imine tautomeric form, with an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif. In the crystal, face-to-face ?-? stacking [centroid-centroid distances = 3.669?(2) and 3.732?(2)?Å] between the aromatic rings of the mol-ecules, which lie in sheets parallel to (202), help to establish the packing.

| S-EPMC3515262 | biostudies-literature

4-Meth-oxy-N-(4-meth-oxy-2-nitro-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)N(2)O(5), the central amide C-C(=O)-N-C unit forms dihedral angles of 28.17?(13) and 26.47?(13)° with the two benzene rings, whereas the two benzene rings are almost coplanar, making a dihedral angle of 4.52?(13)°. The two meth-oxy and the nitro substituents are almost coplanar with their attached benzene rings, with C-O-C-C torsion angles of -1.3?(4) and -4.6?(4)°, and an O-N-C-C torsion angle of 17.1?(3)°. In the crystal, mol-ecules are linked via C-H?O and N-H?O inter-actions, forming a tape running along the b axis.

| S-EPMC3470382 | 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