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

ABSTRACT: 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.

SUBMITTER: Zhang D

PROVIDER: S-EPMC2967997 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(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

(Z)-Isobutyl 2-benzamido-3-(4-chloro-phen-yl)acrylate.

Project description:The title compound, C(20)H(20)ClNO(3), is a α-amino acid derivative which displays a Z configuration about the C=C double bond. The dihedral angle betwen the aromatic rings is 87.75 (12)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯N hydrogen bond. In the crystal structure, centrosymmetrically related mol-ecules inter-act through inter-molecular C-H⋯O hydrogen-bond inter-actions, forming dimers. The dimers are further linked into chains parallel to the a axis by N-H⋯O hydrogen bonds. The methyl groups of the isopropyl group are disordered over two positions with occupancy factors of 0.5.

| S-EPMC2970985 | biostudies-literature

(E)-Ethyl 3-(3-bromo-phen-yl)-2-cyano-acrylate.

Project description:The title mol-ecule, C(12)H(10)BrNO(2), adopts an E configuration with respect to the C=C bond of the acrylate unit. In the crystal structure, mol-ecules are connected by a pair of inter-molecular C-H?O hydrogen bonds, forming a centrosymmetric dimer.

| S-EPMC2971297 | biostudies-literature

Ethyl (2E)-2-cyano-3-(4-meth-oxy-phen-yl)acrylate.

Project description:In the title compound, C13H13NO3, the conformation across the C=C bond is synperiplanar, the torsion angle of the segment C(ring)-C=C-C(N) being 3.2?(5)°. In the crystal, mol-ecules are linked into inversion dimers, arranged in a zigzag pattern, through two C-H?O inter-actions generating R 2 (2)(10) and R 2 (2)(14) motifs. These dimers are arranged in a zigzag pattern in the crystal structure. The mol-ecules are further linked along the c axis through weak C-H?? inter-actions, and weak ??? inter-actions [centroid-centroid separation = 3.9986?(17)?Å] are also observed.

| S-EPMC3884285 | biostudies-literature

Ethyl 2-(4-chloro-phen-yl)-3-(3,5-dimethoxy-phen-oxy)acrylate.

Project description:The title compound, C(19)H(19)ClO(5), displays a dihedral angle of 74.7 (3)° between the mean planes of the 4-chloro-phenyl and phenol rings.

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(E)-Ethyl 2-cyano-3-[5-nitro-2-(pyrrolidin-1-yl)phen-yl]acrylate.

Project description:The title compound, C(16)H(17)N(3)O(4), was prepared by the reaction of 5-nitro-2-(pyrrolidin-1-yl)benzaldehyde and ethyl cyano-acetate. The mol-ecular structure adopts an E conformation with respect to the C=C double bond. The five-membered ring has a half-chair conformation, with puckering parameters Q(2)= 0.399 (2) Å and ϕ = 93.1 (3)°. In the crystal, inversion dimers , linked by pairs of C-H⋯O inter-actions, are further connected through C-H⋯N hydrogen bonds. Weak slipped π-π inter-actions occur between symmetry-related benzene rings [centroid-centroid distance = 3.785 (1)Å].

| S-EPMC2983149 | 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)-Ethyl 2-cyano-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phen-yl]acrylate dihydrate.

Project description:In the title compound, C(27)H(21)N(3)O(2)·2H(2)O, the three benzene rings attached to the heterocyclic imidazole ring are not coplanar with the latter, making dihedral angles of 14.8 (2), 31.4 (2), and 37.5 (2)°, respectively, for the benzene ring planes in the 2-, 4- and 5-positions. In the crystal, there are two water mol-ecules which serve as connectors between the acrylate mol-ecules and stabilize the structure via N-H⋯O, O-H⋯N, C-H⋯O and O-H⋯O hydrogen bonding.

| S-EPMC3052040 | biostudies-literature

Ethyl (E)-2-cyano-3-(4-methyl-phen-yl)acrylate: a second monoclinic polymorph.

Project description:The title compound, C13H13NO2, was previously described in space group P21/c by He et al. [Acta Cryst. (1993), C49, 2000-2002]. The ethyl group is disordered over two sets of sites in a 0.615?(10):0.385?(10) ratio. The C-O-C-C torsion angles containing the ethyl group are -111.6?(10) and 177.9?(7)°, while in the previously reported polymorph, the torsion angle is -167.3?(2)°. The molecules pack to form a three-dimensional structure in the ABAB style along the c-axis direction in the title compound, but parallel to the a-axis direction in the reported polymorph.

| S-EPMC3648277 | biostudies-literature

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