1,058 research outputs found

    (E)-3-(3,4-Dimeth­oxy­phen­yl)-1-(2-hy­droxy­phen­yl)prop-2-en-1-one

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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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