104 research outputs found

    (E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(4-nitro­phen­yl)prop-2-en-1-one

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    In the title compound, C28H19F2NO4, a polysubstituted terphenyl derivative bearing a Michael system, the C=C double bond has an E configuration. Two C—H⋯F contacts connect mol­ecules into inversion dimers. In addition, a C–H⋯π as well as a C–F⋯π contact can be identified. The shortest centroid–centroid distance between two aromatic rings is 3.9535 (8) Å, between one of the para-fluoro­benzene rings and its symmetry-generated equivalent

    3,5-Bis(4-meth­oxy­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole

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    In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth­oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C—H⋯π stacking inter­actions and weak π–π inter­actions [centriod–centroid distance = 3.891 (2) Å]

    (E)-3-(4-Chloro­phen­yl)-1-(1-naphth­yl)prop-2-en-1-one

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    In the title compound, C19H13ClO, the benzene ring and the naphthalene system, are twisted by 12.3 (3) and 36.1 (2)°, respectively, and in opposite directions with respect to the central propenone bridge. The bond-angle pattern within the benzene ring is influence by both substituents; these influences are almost additive. In the crystal, the molecules are linked by C—H⋯O and C—H⋯Cl inter­actions

    1-Methyl­piperazine-1,4-diium dipicrate

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    In the crystal structure of the title compound [systematic name: 1-methyl­piperazine-1,4-diium bis­(2,4,6-trinitro­phen­ol­ate)], C5H14N2 2+·2C6H2N3O7 −, the ionic components are connected by relatively strong N—H⋯O hydrogen bonds into centrosymmetric six-membered conglomerates, which comprise two dications and four anions. Besides Coulombic inter­actions, only weak C—H⋯O inter­actions and some stacking between picrates (separation between the planes of ca. 3.4 Å but only a small overlapping) can be identified between these ‘building blocks’ of the crystal structure. The piperazine ring adopts a chair conformation with the methyl substituent in the equatorial position. In the picrate anions, the twist angles of the nitro groups depend on their positions relative to the phenolate O atom: it is much smaller for the NO2 groups para to the C—O− group [15.23 (9)and 3.92 (14)°] than for the groups in the ortho positions [28.76 (13)–39.84 (11)°]

    (1E,4E)-1-(3-Nitro­phen­yl)-5-phenyl­penta-1,4-dien-3-one

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    In the title compound, C17H13NO3, the dihedral angle between the benzene rings is 31.21 (5)°. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds occur. A C—H⋯π inter­action is also indicated

    (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

    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

    Ethyl ({5-[5′-(2-eth­oxy-2-oxoeth­oxy)-4,4′′-difluoro-1,1′:3′,1′′-terphenyl-4′-yl]-1,3,4-oxadiazol-2-yl}sulfan­yl)acetate

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    In the title compound, C28H24F2N2O6S, the whole mol­ecule is disordered over two sites with refined occupancies of 0.778 (3) and 0.222 (3). The central benzene ring makes dihedral angles of 56.0 (4), 34.5 (4) and 70.9 (4)°, respectively, with the two terminal benzene rings and the 1,3,4-oxadiazole ring in the major component of the disordered mol­ecule. The corresponding angles in the minor component are 59.7 (16), 25.6 (13) and 75.5 (14)°. In the crystal, mol­ecules are linked via C—H⋯F, C—H⋯N, C—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network. In addition, C—H⋯π inter­actions are observed

    4-(1H-Benzimidazol-2-ylmeth­oxy)-3-meth­oxy­benzaldehyde tetra­hydrate

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    In the title compound, C16H14N2O3·4H2O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9 (1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559 (4) and 0.441 (4). In the crystal, extensive inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds in concert with weak π–π stacking inter­actions [centroid–centroid distances = 3.6104 (9), 3.6288 (9) and 3.9167 (10) Å] create a three-dimensional network

    Ethyl 2-amino-4,6-bis­(4-fluoro­phen­yl)cyclo­hexa-1,3-diene-1-carboxyl­ate

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    In the title compound, C21H19F2NO2, the cyclo­hexa-1,3-diene ring is in a distorted envelope conformation. The dihedral angles between the mean planes of the diene moiety and the two fluoro­phenyl rings are 42.8 (2) and 75.0 (5)°. The two fluoro­phenyl rings are inclined to one another by 87.0 (3)°. In the crystal, intra­molecular N—H⋯O hydrogen bonds and weak N—H⋯O and N—H⋯F inter­molecular inter­actions are observed forming an infinite two-dimensional network along [011]
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