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

ABSTRACT: 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].

SUBMITTER: Fatiha B

PROVIDER: S-EPMC3393989 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

| S-EPMC3379264 | biostudies-literature

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].

| S-EPMC3470305 | biostudies-literature

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.

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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.

| S-EPMC3414912 | biostudies-literature

4-(2,6-Dibromo-4-fluoro-anilino)pent-3-en-2-one.

Project description:The title enamino-ketone, C(11)H(10)Br(2)FNO, has a roughly planar pentenone chain; the maximum displacement of an atom from the pentenone plane is 0.071 (4) Å. The dihedral angle between the benzene ring and the pentenone unit is 77.2 (1)°. Inter-molecular C-H⋯Br and C-H⋯O inter-actions, as well as an intra-molecular N-H⋯O inter-action, are observed. In both methyl groups, each H atom is disordered equally over two sites.

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Monoclinic form of (Z)-1-ferrocenyl-3-(3-hy-droxy-anilino)but-2-en-1-one.

Project description:The title compound, [Fe(C(5)H(5))(C(15)H(14)NO(2))], is a monoclinic polymorph of the previously reported triclinic form [Shi et al. (2006 ?). Acta Cryst. C62, m407-m410]. The polymorphs feature the same strong intra-molecular N-H?O=C hydrogen bonds, but show different packing modes. The mol-ecules in the monoclinic form associate into double chains via O-H?O=C and (Cp)C-H?O-H inter-actions.

| S-EPMC3238667 | biostudies-literature

4-Hy-droxy-2-methyl-3,4-diphenyl-cyclo-pent-2-en-1-one.

Project description:The asymmetric unit of title compound, C(18)H(16)O(2), contains two mol-ecules with slightly different conformations. In the first mol-ecule, the two phenyl rings make dihedral angles of 84.98?(11)° and the five-membered ring makes dihedral angles of 84.80?(12) and 73.00?(12)° with the phenyl rings; the corresponding angles for the second mol-ecule are 86.74?(11), 81.20?(13) and 71.36?(12)°. O-H?O hydrogen bonds between the hy-droxy and carbonyl groups are a feature of the crystal packing, which results in chains extending parallel to [100]. Weak C-H?O and C-H?? inter-actions are also observed.

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(Z)-4-(2,5-Di-tert-butyl-anilino)pent-3-en-2-one.

Project description:In the crystal structure of the title ketoamine, C(19)H(29)NO, the bond lengths from the N atom through the alkene group to the ketone O atom show the presence of an extensively delocalized ?-system. The dihedral angle between the plane of the phenyl ring and that of the alkene component is 63.45?(7)° due to steric hindrance exerted by the tert-butyl groups. The mol-ecule has a Z-configured alkene function, which is facilitated by an intra-molecular N-H?O hydrogen bond between the amine and ketone groups. The mol-ecules are linked into extended chains, which run parallel to the [010] direction, by a very weak C-H?O inter-action between the methyl substituent of the alkene group and the ketone O atom of a neighbouring mol-ecule.

| S-EPMC3120447 | biostudies-literature

1-[(4-Hy-droxy-anilino)methyl-idene]naphthalen-2(1H)-one.

Project description:The title Schiff base, C17H13NO2, crystallizes in the zwitterionic form and an N-H⋯O hydrogen bond closes an S(6) ring. The dihedral angle between the aromatic ring systems is 15.62 (9)°. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(11) chains propagating in [010].

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2,6-Dichloro-aniline-4-(2,6-dichloro-anilino)-pent-3-en-2-one (1/2).

Project description:The asymmetric unit of the title compound, C6H5Cl2N·2C11H11Cl2NO, is composed of one mol-ecule of an enamino-ketone [i.e. -(2,6-dichloro-phenyl-amino)-pent-3-en-2-one] and half a mol-ecule of 2,6-dichloro-aniline, the whole mol-ecule of the latter component being generated by twofold rotational symmetry. In this latter mol-ecule, there are two intra-molecular N-H?Cl contacts. In the enamino-ketone mol-ecule, there is an N-H?O hydrogen bond of moderate strength, and the dihedral angle between the benzene ring and penta-none fragment [C-C(-N)=C-C(=O)-C; planar within 0.005?(1)?Å] is 81.85?(7)°. In the crystal, two mol-ecules of the enamino-ketone are bridged by a mol-ecule of 2,6-dichloro-aniline via N-H?O hydrogen bonds of moderate strength. There are also ?-? inter-actions present, involving the benzene rings of inversion-related enamino-ketone mol-ecules [centroid-centroid distance = 3.724?(4)?Å].

| S-EPMC3588339 | biostudies-literature

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