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

ABSTRACT: 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.

SUBMITTER: Venter GJ

PROVIDER: S-EPMC3515202 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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

Venter Gertruida J S GJ Brink Alice A Steyl Gideon G Roodt Andreas A

Acta crystallographica. Section E, Structure reports online 20121013 Pt 11

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. ...[more]

PMID: 23284429

Similar Datasets

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)°.

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(E)-1,5-Di-phenyl-pent-2-en-4-yn-1-one.

Project description:The title compound, C17H12O, has an E conformation about the C=C bond. The C-C C-C torsion angle is 7.7 (2)°, and the mean planes of the phenyl-ethyl-enone [r.m.s. deviation = 0.059 (1) Å] and phenyl-acetyl-ene [r.m.s. deviation = 0.023 (1) Å] fragments form a dihedral angle of 14.16 (7)°. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into zigzag chains propagated in [010].

| S-EPMC3685064 | biostudies-literature

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

Project description: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.

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1-(4-Chloro-phen-yl)-4,4-dimethyl-pent-1-en-3-one.

Project description:In the title compound, C(13)H(15)ClO, the carbonyl and ethenyl groups are not coplanar with benzene ring system, forming dihedral angles of 35.37?(5) and 36.27?(11)°, respectively. The mol-ecules are packed in an offset face-to-face arrangement showing ?-? stacking inter-actions involving the benzene rings [centroid-centroid distance = 3.586?(4)?Å].

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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.

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(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.

| S-EPMC2972092 | biostudies-literature

(E)-3-[4-(Pent-yloxy)phen-yl]-1-phenyl-prop-2-en-1-one.

Project description:The title compound, C(20)H(22)O(2), crystallizes with two independent mol-ecules in the asymmetric unit. In each mol-ecule, all the non-H atoms lie in a common plane (r.m.s. deviations of 0.098 and 0.079?Å). There is a ?-? stacking inter-action in the crystal structure. The central aromatic rings of the two mol-ecules, which are stacked head-to-tail one above the other, are separated by centroid-to-centroid distances of 3.872?(13) and 3.999?(10)?Å.

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2-[(4-Chloro-phen-yl)(2-hy-droxy-5-oxo-cyclo-pent-1-en-1-yl)meth-yl]-3-hy-droxy-cyclo-pent-2-en-1-one.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(17)H(15)ClO(4), in which the dihedral angles between the five-membered rings are 57.3?(1) and 51.4?(1)°. An intra-molecular O-H?O hydrogen bond occurs in each mol-ecule. In the crystal, O-H?O and C-H?O hydrogen bonds link the moleclues into chains along the b axis.

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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.

| S-EPMC9462373 | biostudies-literature

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