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

ABSTRACT: 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.

SUBMITTER: Xiao ZP

PROVIDER: S-EPMC2959944 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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

Project description: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.

| S-EPMC2960401 | biostudies-literature

(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⋯π inter-actions, forming a three-dimensional network.

| S-EPMC2959879 | 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-(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

Ethyl 2-[(2,4-difluoro-phen-yl)hydrazinyl-idene]-3-oxobutano-ate.

Project description:The asymmetric unit of the title compound, C(12)H(12)F(2)N(2)O(3), contains two mol-ecules, both of which exist in an E conformation with respect to their C=N bonds [1.321?(6) and 1.310?(6)?Å]. The mol-ecular conformations are supported by intra-molecular N-H?O hydrogen bonds, which generate S(6) rings. In the crystal, mol-ecules are linked by C-H?O and C-H?F hydrogen bonds into layers lying parallel to (001). The crystal studied was an inversion twin with a 0.58?(1):0.42?(1) domain ratio.

| S-EPMC3275180 | biostudies-literature

(Z)-Ethyl 2-(4-chloro-phen-yl)-3-[(2,4-difluoro-phen-yl)amino]-prop-2-enoate.

Project description:In the title compound, C(17)H(14)ClF(2)NO(2), the amino-acrylo-yloxy group makes dihedral angles of 47.55?(11)° with the 4-chloro-phenyl group and 8.74?(12)° with the difluoro-phenyl group; the dihedral angle between the rings is 52.32?(11)°. The structure of the title compound reveals a Z configuration with respect to the C=C double bond in the amino-acrylate fragment. A bifurcated intramolecular N-H?(O,F) hydrogen bond occurs. In the crystal, molecules are linked into chains by C-H?O hydrogen bonds.

| S-EPMC3009196 | biostudies-literature

(Z)-Ethyl 3-(4-chloro-phen-yl)-2-cyano-3-(2,6-difluoro-benzamido)acrylate.

Project description:The title compound, C(19)H(13)ClF(2)N(2)O(3), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro-phen-yl)-2-cyano-acrylate and 2,6-difluoro-benzoyl chloride. The dihedral angle between the chloro-benzene and fluoro-benzene rings is 37.0 (1)°. The ethyl group is disordered over two positions [occupancies = 0.52 (2):0.48 (2)]. In addition to intra-molecular N-H⋯O and N-H⋯F hydrogen bonds, the crystal packing shows the mol-ecules to be connected by inter-molecular C-H⋯O and C-H⋯N hydrogen bonds.

| S-EPMC2959890 | biostudies-literature

1-(2,4-Difluoro-phen-yl)thio-urea.

Project description:The asymmetric unit of the title compound, C(7)H(6)F(2)N(2)S, consists of two independent mol-ecules, with comparable geometries. In one mol-ecule, the thio-urea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other mol-ecule are 0.011 Å and 81.71 (8)°, respectively. In both mol-ecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, mol-ecules are linked via N-H⋯S and C-H⋯F hydrogen bonds into two-dimensional networks parallel to (010).

| S-EPMC3414916 | biostudies-literature

N-(3,4-Difluoro-phen-yl)-N'-(2,5-di-methoxy-phen-yl)urea.

Project description:In the title compound, C(15)H(14)F(2)N(2)O(3), the dihedral angle between the benzene rings is 64.5 (1)°. One F atom is disordered over two meta positions, with occupancy factors of 0.72 and 0.28. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds involving two N-H and one C=O groups of the urea central fragment, leading to a supra-molecular chain along [011].

| S-EPMC3007869 | biostudies-literature

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