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

ABSTRACT: 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.

SUBMITTER: Lei X

PROVIDER: S-EPMC2968919 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(4-Chloro-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(17)H(15)ClO, was prepared from 3,4-dimethyl-benzaldehyde and 4-chloro-hypnone by Aldol condensation. The dihedral angle formed by the two benzene rings is 48.91 (8)°. Only van der Waals forces affect the packing.

| S-EPMC3008096 | biostudies-literature

(E)-1-(4-Amino-phen-yl)-3-(2-chloro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(12)ClNO, a substituted chalcone, adopts an E configuration with respect to the C=C bond of the enone unit. The mol-ecule is not planar, as can be seen from the dihedral angle of 28.9?(2)° between the two rings which are twisted from each other. The enone segment of the mol-ecule is not coplanar with the chloro-phenyl ring, making a dihedral angle of 23.4?(3)° with it. The amino group is also not coplanar with the ring to which it is bound, making a dihedral angle of 35?(4)°. In the crystal structure, adjacent mol-ecules are linked by N-H?O inter-actions into one-dimensional infinite chains along the c axis, and are further stacked as one-dimensional zigzag chains down the b axis, forming two-dimensional extended networks parallel to the bc plane.

| S-EPMC2959457 | 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

(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

(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-[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

(E)-3-Dimethyl-amino-1-(2,5-dimethyl-thio-phen-3-yl)prop-2-en-1-one.

Project description:In the title compound, C(11)H(15)NOS, the 3-(dimethyl-amino)-prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975?(14)?Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96?(10)° with the thio-phene ring. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds into inversion dimers with R(2) (2)(14) ring motifs. The dimers are stacked along the c axis through C-H?? inter-actions. The two methyl groups, attached to the thio-phene ring and the amino N atom, are each disordered over two orientations, with site-occupancy ratios of 0.59?(4):0.41?(4) and 0.74?(4):0.26?(4), respectively.

| S-EPMC3379305 | biostudies-literature

(2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(2,5-dimethyl-3-thien-yl)prop-2-en-1-one.

Project description:The asymmetric unit of the title compound, C(17)H(19)NOS, contains two independent mol-ecules which differ in the dihedral angles between the five- and six-membered rings [12.52?(10) and 4.63?(11)°]. Weak inter-molecular C-H?O hydrogen bonds link the two independent mol-ecules into pseudocentrosymmetric dimers. In one mol-ecule, the O atom of the carbonyl group is disordered over two positions in a 0.699?(4):0.301?(4) ratio.

| S-EPMC3008074 | biostudies-literature

(2E)-1-(3-Chloro-phen-yl)-3-(4-chloro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Cl(2)O, is a chalcone with 3-chloro-phenyl and 4-chloro-phenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The dihedral angle between mean planes of these two chloro-substituted benzene rings is 46.7?(7)° compared to 46.0?(1) and 32.4?(1)° in similar published sructures. The angles between the mean plane of the prop-2-en-1-one group and the mean planes of the 3-chloro-phenyl and 4-chloro-phenyl rings are 24.1?(2) and 29.63°, respectively. While no classical hydrogen bonds are present, weak inter-molecular C-H??-ring inter-actions are observed, which contribute to the stability of crystal packing.

| S-EPMC2971255 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-1-(4-chloro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Cl(2)O, adopts an E configuration with respect to the C=C bond of the propenone unit. The dihedral angle between the two benzene rings is 32.4?(1)°. Intra-molecular C-H?O and C-H?Cl hydrogen bonds generate an S(5)S(5)S(5) motif. In addition, the crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2961505 | biostudies-literature

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