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(Z)-4-(2-Naphthyl-amino)-pent-3-en-2-one.

ABSTRACT: The title compound, C(15)H(15)NO, which was synthesized under solvent-free conditions by the reaction of acetoacetone and 2-naphthyl-amine, adopts a Z conformation about the C=C bond. The enamine-ketone fragment is approximately planar [maximum deviation = 0.026 (3) Å] and forms a dihedral angle of 39.78 (3)° with the naphthalene ring system. An intra-molecular N-H⋯O hydrogen bond is observed.

SUBMITTER: Harrad MA

PROVIDER: S-EPMC3151978 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(2-Chloro-phenyl-amino)-pent-3-en-2-one.

Project description:In the title compound, C(11)H(12)ClNO, intra-molecular N-H?O hydrogen bonding is present. The dihedral angle between the benzene ring and the pentenone unit is 46.52?(5)°. In the crystal, C-H?O inter-actions between hydrogen atoms of the aryl moiety and two separate oxygen atoms occur, leading to a three-dimensional network.

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4-[(4-Methyl-phen-yl)amino]-pent-3-en-2-one.

Project description:The title enamino-ketone, C(12)H(15)NO, is a derivative of 4-(phenyl-amino)-pent-3-en-2-one with an approximately planar pentenone backbone, the greatest displacement from the plane being 0.042 (1) Å; the asymmetry in C-C distances in the group suggests the presence of unsaturated bonds. The dihedral angle between the benzene ring and the pentenone plane is 29.90 (4)°. In the crystal, an intra-molecular N-H⋯O inter-action and an inter-molecular C-H⋯O hydrogen bond are observed.

| S-EPMC3009096 | biostudies-literature

(1E)-1-[4-(Dimethyl-amino)phen-yl]pent-1-en-3-one.

Project description:The title mol-ecule, C(13)H(17)NO, is close to planar: the dihedral angle betweent the dimethyl amino group and the benzene ring is 7.94 (19)°. No significant inter-molecular inter-actions are observed in the crystal structure.

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4-{[(1S,2R)-2-Hy-droxy-indan-1-yl]amino}-pent-3-en-2-one.

Project description:In the mol-ecule of the title compound, C(14)H(17)NO(2), the dihedral angle formed by the mean planes through the indan ring system and the amino-pentenone fragment is 83.26 (13)°. An intra-molecular N-H⋯O hydrogen bond is observed. In the crystal, mol-ecules are linked into one-dimensional chains extending along the [010] direction via O-H⋯O and C-H⋯O hydrogen bonds.

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(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]-pent-3-en-2-one hemihydrate.

Project description:The title compound, C15H15NO·0.5H2O, was prepared from α-naphthyl-amine and 2,4-penta-nedione in a 1:1 ratio. An intra-molecular N-H⋯O hydrogen bond in the N-naphthyl-pent-3-en-2-one mol-ecule involving the amine and carbonyl groups strengthens the structure. The water mol-ecule interacts with two symmetry-related N-naphthyl-pent-3-en-2-one mol-ecules viaby O-H⋯O hydrogen bonds.

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4-(2,3-Dimethyl-anilino)pent-3-en-2-one.

Project description:In the title compound, C(13)H(17)NO, the dihedral angle between the aryl ring and the amino-acryl-aldehyde mean plane [N-C=C-C=O; maximum deviation = 0.0144?(9)?Å] is 53.43?(4)°. There is an intra-molecular N-H?O hydrogen bond involving the amine and carbonyl groups. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along [001].

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4-(2-Methyl-anilino)pent-3-en-2-one.

Project description:The title enamino ketone, C(12)H(15)NO, a derivative of 4-(phenyl-amino)-pent-3-en-2-one, presents a roughly planar [greatest displacement of an atom from the pentenone plane is 0.033 (2) Å] pentenone backbone, enhanced by an intra-molecular N-H⋯O hydrogen bond; the asymmetry in C-C distances in the group suggests the presence of unsaturated bonds. The overall geometry in the free ligand differs significantly from that in other reported compounds, in which it is coordinated to rhodium; this is reflected in the bond distances [the N⋯O distance is significantly increased (0.2 Å) upon coordination to the metal] and the dihedral angle between the benzene ring and the pentenone backbone [49.53 (5)°]. All of the methyl goups are rotationally disordered over two orientations of equal occupancy.

| S-EPMC3006949 | biostudies-literature

Butyl-bis[μ-4-(2,4,6-trimethyl-phenyl-amino)pent-3-en-2-onato][4-(2,4,6-trimethyl-phenyl-amino)pent-3-en-2-onato]dimagnesium.

Project description:The structure of the title compound, [Mg(2)(C(4)H(9))(C(14)H(18)NO)(3)], contains two Mg atoms bridged by two μ(2)-O atoms from two of the three ketiminate ligands, while the third ketiminate is strictly chelating to one of the Mg atoms, which is thereby five-coordinate. In place of a chelating ligand, the second Mg atom is ligated by a single terminal n-butyl group and thus is four-coordinate. This is, so far, the only structurally characterized mixed magnesium ketiminate-alkyl cluster. The geometry at the first Mg atom is close to trigonal-bipyramidal with one chelating and one bridging O atom in the axial positions and two chelating N and one bridging O atom in the equatorial positions. The geometry at the second Mg atom is very distorted from tetra-hedral, with an O-Mg-C angle of 131.0 (1)°.

| S-EPMC2969899 | biostudies-literature

3-(4-Bromo-phen-yl)cyclo-pent-2-en-1-one.

Project description:In the title compound, C11H9BrO, the cyclo-pentenone ring is almost planar with an r.m.s. deviation of 0.0097?Å. The largest inter-ring torsion angles [2.4?(3), 1.3?(3) and 3.53?(2)°] reveal only a very small twist between the rings, and suggest that the two rings are conjugated. The mol-ecule is slightly bowed, as shown by the small dihedral angle between the rings [5.3?(1)°]. The crystal packing pattern consists of parallel sheets that stack parallel to the ac plane. Each sheet consists of mol-ecules that pack side-to-side with the same relative orientation of phenyl and cyclo-pentenone rings along the a- and c-axis directions. Slipped side-to-side, face-to-face and edge-to-face inter-actions exist between pairs of sheets with edge-to-edge and edge-to-face O?H-C(sp (2)) weak hydrogen-bond contacts. A relatively short edge-to-face contact (2.77?Å) also exists between pairs of sheets.

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(Z)-4-(2-Hy-droxy-anilino)pent-3-en-2-one.

Project description:In the title compound, C(11)H(13)NO(2), the dihedral angle between the planes defined by the 2-hy-droxy-phenyl-amino group and the pent-3-en-2-one mean plane [maximum deviations = 0.0275 (19) and 0.054 (2) Å, respectively] is 31.01 (10)°. There are intra-molecular bifurcated N-H⋯(O,O) hydrogen bonds involving the amine NH group and the adjacent carbonyl and hy-droxy O atoms. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming chains propagating along [100].

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