121 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
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
(E)-1-(4,4′′-Difluoro-5′-methoxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(4-methylphenyl)prop-2-en-1-one
In the meta-terphenyl fragment of the title molecule, C29H22F2O2, the two fluorophenyl rings are twisted from the central benzene ring by 46.72 (6) and 41.70 (6)°, respectively. In the crystal, weak C—H⋯O and C—H⋯F hydrogen bonds link the molecules into layers parallel to the ab plane. The crystal packing exhibits π–π interactions, the shortest distance between the centroids of aromatic rings being 3.6364 (7) Å
(E)-1-(4,4′′-Difluoro-5′-methoxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-phenylprop-2-en-1-one
The title compound, C28H20F2O2, is a polysubstituted terphenyl derivative bearing a Michael system. The C=C double bond is E configured. In the crystal, C—H⋯O and C—H⋯F contacts connect the molecules, forming undulating sheets that lie perpendicular to the crystallographic a axis. The shortest π–π interaction [centroid–centroid distance = 3.7163 (7) Å] involves the para-fluorophenyl ring in the para position to the Michael system, and its symmetry-generated equivalent
1-[5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
In the title compound, C17H15ClN2O2, the benzene rings form dihedral angles of 89.56 (5) and 5.87 (5)° with the mean plane of the pyrazoline ring (r.m.s. deviation = 0.084 Å). The dihedral angle between the two benzene rings is 87.57 (5)°. In the crystal, molecules are linked by O—H⋯O and C—H⋯O hydrogen bonds into a helical chain along the c axis. Between the chains weak C—H⋯N and C—H⋯O interactions are present. The crystal studied was an inversion twin with a domain ratio of 0.72 (4):0.28 (4)
3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
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
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
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
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
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
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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