1,058 research outputs found
(E)-3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
In the title compound, C17H16O4, the dihedral angle between the mean planes of the hydroxyphenyl and dimethoxyphenyl rings is 5.9 (6)°. The mean plane of the prop-2-en-1-one group makes dihedral angles of 3.6 (0) and 2.6 (7)° with the hydroxyphenyl and dimethoxyphenyl rings, respectively. An intramolecular O—H⋯O hydrogen bond occurs. The crystal packing is stabilized by weak intermolecular C—H⋯O contacts and π–π stacking interactions [centroid–centroid distance = 3.6571 (8) Å]
(2E)-1-(2-Bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
In the title compound, C15H10BrClO, the dihedral angle between the mean planes of the benzene rings in the ortho-bromo- and para-chloro-substituted rings is 70.5 (6)°. The dihedral angles between the mean plane of the prop-2-en-1-one group and the mean planes of the benzene rings in the 4-chlorophenyl and 2-bromophenyl rings are 14.9 (3) and 63.3 (8)°, respectively. In the crystal, inversion dimers linked by pairs of weak C—H⋯O interactions are observed as well as aromatic π–π stacking interactions
(2E)-3-[4-(Dimethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
The mean planes of the two benzene rings in the title compound, C17H16FNO, 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 intermolecular C—H⋯O interactions link pairs of molecules, forming centrosymmetric dimers
[3-(5-Hydroxy-5H-dibenzo[a,d]cyclohepten-5-yl)propyl]dimethylammonium 3-carboxyprop-2-enoate
In the cation of the title salt, C20H24NO+·C4H3O4
−, the N atom in the dimethylammonium group is protonated. The dihedral angle between the mean planes of the two six-membered rings fused to the cyclohepten-5-yl ring is 54.4 (1)°. An intramolecular O—H⋯O hydrogen bond occurs in the anion. The crystal packing is stabilized by intermolecular O—H⋯O and N—H⋯(O,O) hydrogen bonds and weak C—H⋯O interactions, forming a two-dimensional network
(2E)-1-(3-Chlorophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
The title compound, C15H10Cl2O, is a chalcone with 3-chlorophenyl and 4-chlorophenyl 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-chlorophenyl and 4-chlorophenyl rings are 24.1 (2) and 29.63°, respectively. While no classical hydrogen bonds are present, weak intermolecular C—H⋯π-ring interactions are observed, which contribute to the stability of crystal packing
(2E)-1-(2-Bromophenyl)-3-(4-bromophenyl)prop-2-en-1-one
The title compound, C15H10Br2O, is a chalcone with 2-bromophenyl and 4-bromophenyl rings bonded to opposite sides of a propenone group. The dihedral angle between mean planes of the benzene rings is 71.3 (1)°. The angle between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromophenyl and 4-bromophenyl rings are 64.2 (9) and 71.3 (1)°, respectively. A weak intermolecular C—H⋯O interaction and two weak C—Br⋯π interactions are observed, which contribute to the stability of the crystal packing
(2E)-3-(4-Bromophenyl)-1-(3-chlorophenyl)prop-2-en-1-one
In the title compound, C15H10BrClO, the dihedral angle between mean planes of the bromo- and chloro-substituted benzene rings is 46.2 (2)° compared to 45.20 (9)° in the structure with the Cl substituent in the meta position of the aromatic ring. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 4-bromophenyl and 3-chlorophenyl rings are 28.7 (5) and 24.2 (4)°, respectively. In the crystal, weak intermolecular C—H⋯π interactions occur
(2E)-3-(3-Bromo-4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one
The mean planes of the benzene and pyridine rings in the title compound, C15H12BrNO2, are nearly coplanar, subtending an angle of 2.8 (8)°. The prop-2-en-1-one group is also in the plane of these rings with an N—C—C—O torsion angle of 179.6 (3)°. A weak C—H⋯Br intermolecular interaction contributes to the crystal packing, creating a chain-like structure along the a axis
Imatinibium dipicrate
In the crystal structure of imatinibium dipicrate [systematic name: 1-methyl-4-(4-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]anilinocarbonyl}benzyl)piperazine-1,4-diium dipicrate], C29H33N7O2+·2C6H2N3O7
−, the imatinibium cation is protonated at both of the pyrimidine N atoms. Each of the two picrate anions interacts with the diprotonated cation through bifurcated N—H⋯O hydrogen bonds forming R
1
2(6) ring motifs. Also, an R
2
2(24) graph set is formed between the benzamidium –NH– group and the 4-pyridyl N atom interacting through N—H⋯N hydrogen-bond interactions. Additional weak C—H⋯Cg π-ring and π–π intermolecular interactions are observed which also influence crystal packing
2,3-Dibromo-1,3-bis(4-fluorophenyl)propan-1-one
In the title compound, C15H10Br2F2O, the dihedral angle between the two 3-fluoro-substituted benzene rings is 5.7 (5)°. The two bromine substituents on the chalcone moiety are close to anti as the Br—C—C—Br torsion angle is 176.9 (7)°. Weak C—Br⋯π interactions may contribute to the crystal stability
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