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

ABSTRACT: 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.

SUBMITTER: Asghar MN

PROVIDER: S-EPMC2972092 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(2,4-Dichloro-phen-yl)-4,4-dimethyl-pent-1-en-3-one.

Project description:In the title compound, C(13)H(14)Cl(2)O, the carbonyl and ethenyl groups are coplanar with the aromatic ring. There are four molecules in the asymmetric unit and all atoms in the molecule lie on mirror planes. The mol-ecules are packed in an offset face-to-face arrangement showing ?-? stacking inter-actions involving the benzene rings [centroid-centroid distance = 3.564?(2)?Å].

| S-EPMC2959386 | biostudies-literature

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].

| S-EPMC2968549 | biostudies-literature

4,4-Dimethyl-1-(3-nitro-phen-yl)pent-1-en-3-one.

Project description:All the non-hydrogen atoms except one methyl C atom of the title compound, C(13)H(15)NO(3), lie on a crystallographic mirror plane perpendicular to the b axis. The crystal packing is stabilized by two weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2969624 | biostudies-literature

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

(E)-3-[4-(Dimethyl-amino)phen-yl]-1-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(18)H(19)NO, the dihedral angle between 4-methyl-phenyl and 4-(dimethyl-amino)phenyl rings is 45.5?(3)°. The C-C=C-C torsion angle of 173.8?(3)° indicates that the mol-ecule adopts an E configuration. The dimethyl-amino group is nearly coplanar with the attached benzene ring, making a dihedral angle of 2.7?(3)°. Weak inter-molecular C-H?? inter-actions are observed in the crystal structure.

| S-EPMC2980133 | biostudies-literature

(E)-1-(4-Chloro-phen-yl)-3-[4-(dimethyl-amino)phen-yl]prop-2-en-1-one.

Project description:The title compound, C(17)H(16)ClNO, was synthesized using a solvent-free method by reaction of 4-(dimethyl-amino)benzaldehyde with 4-chloro-acetophenone and NaOH. The chloro-phenyl ring makes a dihedral angle of 18.1 (3)° with the central propenone unit, while the (dimethyl-amino)phenyl group is disordered over two orientations of equal occupancies, which make dihedral angles with the central propenone unit of 32.9 (3) and 57.4 (3)°, respectively.

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(2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(4-fluoro-phen-yl)prop-2-en-1-one.

Project description:The mean planes of the two benzene rings in the title compound, C(17)H(16)FNO, are twisted slightly, making a dihedral angle of 7.8 (1)°. The prop-2-en-1-one group is also twisted slightly with a C-C-C-O torsion angle of -11.6 (3)°. In the crystal, weak inter-molecular C-H⋯O inter-actions link pairs of mol-ecules, forming centrosymmetric dimers.

| S-EPMC3051752 | biostudies-literature

3-Dimethyl-amino-1-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(12)H(15)NO, the C=C and C=O functional groups and the benzene ring are involved in an extended conjugated system. The mol-ecules are essentially planar with a maximal deviation from planarity for the non-H atoms of 0.062?(2)?Å.

| S-EPMC2980110 | biostudies-literature

3-[4-(Dimethyl-amino)phen-yl]-1-(2-pyrrol-yl)prop-2-en-1-one.

Project description:The molecule of the title compound, C(15)H(16)N(2)O, is non-planar with a dihedral angle of 16.0 (1)° between the pyrrole and benzene rings. The ketone double-bond displays an s-cis conformation with an O=C-C=C torsion angle of 7.9 (3) and an intramolecular C-H⋯O hydrogen bond. In the crystal structure, adjacent mol-ecules are paired through N-H⋯O hydrogen bonds into centrosymmetric dimers.

| S-EPMC2961564 | 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.

| S-EPMC4051020 | biostudies-literature

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