Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-Ethyl 3-(2-fluoro-anilino)-2-(4-methoxy-phen-yl)acrylate.

ABSTRACT: The title compound, C(18)H(18)FNO(3), consists of three individually planar subunits, namely two substituted benzene rings and one amino-acrylate group. The dihedral angle between the two benzene rings is 47.48?(8)°. The amino-acrylate group forms dihedral angles of 57.95?(7) and 11.27?(6)° with the methoxy-phenyl and fluorophenyl rings, respectively.

SUBMITTER: Zheng Y

PROVIDER: S-EPMC2960401 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-Ethyl 3-(2-fluoro-anilino)-2-(4-methoxy-phen-yl)acrylate.

Zheng Yi Y Xiao Zhu-Ping ZP Wang Kai-Rui KR Zhu Hai-Liang HL

Acta crystallographica. Section E, Structure reports online 20080123 Pt 2

The title compound, C(18)H(18)FNO(3), consists of three individually planar subunits, namely two substituted benzene rings and one amino-acrylate group. The dihedral angle between the two benzene rings is 47.48 (8)°. The amino-acrylate group forms dihedral angles of 57.95 (7) and 11.27 (6)° with the methoxy-phenyl and fluorophenyl rings, respectively. ...[more]

PMID: 21201512

Similar Datasets

(E)-Ethyl 3-(4-fluoro-anilino)-2-(4-methoxy-phen-yl)acrylate.

Project description:In the title compound, C(18)H(18)FNO(3), the dihedral angles between the two benzene rings and the plane through the acrylate group and the fluoro-phenyl ring are 61.58?(8) and 13.33?(9)°, respectively. Mol-ecules are linked into ribbons through C-H?O and N-H?O hydrogen bonds, and further linked by C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC2959879 | biostudies-other

(Z)-Ethyl 3-(2,4-difluoro-anilino)-2-(4-methoxy-phen-yl)acrylate.

Project description:The title compound, C(18)H(17)F(2)NO(3), consists of three individually planar subunits, namely two benzene rings and one amino-acrylate group. The amino-acrylate group forms dihedral angles of 5.92 (7) and 50.21 (6)° with the difluoro and methoxy benzene rings, respectively. The dihedral angle between the two benzene rings is 55.25 (7)°. The mol-ecules exhibit intra-molecular N-H⋯O and N-H⋯F inter-actions and form a three-dimensional network via inter-molecular C-H⋯O and C-H⋯π hydrogen bonds.

| S-EPMC2959944 | biostudies-literature

(E)-2-{N-Ethyl-4-[(4-nitro-phen-yl)diazen-yl]anilino}ethyl acrylate.

Project description:In the mol-ecule of the title compound, C(19)H(20)N(4)O(4), the rings are almost coplanar, forming a dihedral angle of 0.76?(3)°. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules.

| S-EPMC2961144 | biostudies-literature

Ethyl 3-(2,4-difluoro-phen-oxy)-2-(4-methoxy-phen-yl)acrylate.

Project description:In the title mol-ecule, C(18)H(16)F(2)O(4), the two benzene rings form a dihedral angle of 55.2?(2)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into chains propagating along the c axis.

| S-EPMC2960068 | biostudies-literature

Ethyl 3-(4-hydroxy-phen-oxy)-2-(4-methoxy-phen-yl)acrylate.

Project description:In the title compound, C(18)H(18)O(5), the dihedral angle between the two benzene rings is 55.2 (3)°. The ethyl acrylate linkage is planar and forms dihedral angles of 21.3 (3) and 41.0 (3)°, respectively, with the hydroxy-phenyl and methoxy-phenyl rings. In the crystal structure, mol-ecules are linked into zigzag chains along the b axis by O-H⋯O hydrogen bonds.

| S-EPMC2959932 | biostudies-literature

(Z)-Ethyl 3-(4-chloro-benzamido)-2-cyano-3-(4-fluoro-phen-yl)acrylate.

Project description:The title compound, C(19)H(14)ClFN(2)O(3), was prepared by the reaction of ethyl (Z)-3-amino-2-cyano-3-(4-fluoro-phen-yl)acrylate and 4-chloro-benzoyl chloride. The dihedral angle between the chloro-benzene and fluoro-benzene rings is 66.18 (19)°. In addition to an intra-molecular N-H⋯O hydrogen bond, there are inter-molecular C-H⋯O and C-H⋯N hydrogen bonding inter-actions, which stabilize the crystal structure.

| S-EPMC2967997 | biostudies-literature

Ethyl 3-[2-(p-toluene-sulfonamido)phen-yl]acrylate.

Project description:In the title compound, C(18)H(19)NO(4)S, the two benzene rings form a dihedral angle of 52.2?(7)°. The crystal struture is stabilized by N-H?O hydrogen bonds, which link the molecules into dimers.

| S-EPMC2970429 | biostudies-literature

2-Fluoro-N-(4-methoxy-phen-yl)benzamide.

Project description:In the title compound, C(14)H(12)FNO(2), the fluoro-benzene and methoxy-benzene rings are inclined at 27.06?(7) and 23.86?(7)°, respectively, to the amide portion of the mol-ecule and at 3.46?(9)° to one another. The meth-oxy substituent lies close to the methoxy-benzene ring plane, with a maximum deviation of 0.152?(3)?Å for the methyl C atom. In the crystal structure, inter-molecular N-H?O hydrogen bonds link mol-ecules into rows along a. Weak C-H?O and C-H?F inter-actions further stabilize the packing, forming corrugated sheets in the bc plane.

| S-EPMC2969053 | biostudies-literature

4-(4-Fluoro-anilino)-N-(4-fluoro-phen-yl)-3-nitro-benzamide.

Project description:In the title compound, C(19)H(13)F(2)N(3)O(3), the anilinobenzamide unit is essentially planar, with a maximum deviation of 0.036?(3)?Å. The nitro group and the benzene ring form dihedral angles of 9.6?(5)and 62.20?(8)°, respectively, with the anilinobenzamide unit. An intra-molecular N-H?O inter-action occurs. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O, N-H?O and C-H?F hydrogen bonds, which stabilize the structure.

| S-EPMC3009010 | biostudies-literature

1-(4-Fluoro-phen-yl)-5-(4-methoxy-phen-yl)pyrazolidin-3-one.

Project description:In the mol-ecule of the title compound, C(16)H(15)FN(2)O(2), the benzene rings are oriented at a dihedral angle of 88.61 (3)°. The five-membered ring adopts an envelope conformation. Intra-molecular C-H⋯N hydrogen bonds result in the formation of two planar five-membered rings. In the crystal structure, inter-molecular N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules, forming R(2) (2)(8) and R(2) (2)(18) ring motifs. Weak C-H⋯π inter-actions may further stabilize the structure.

| S-EPMC2968975 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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