863 research outputs found
(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)°]
Tramadolium picrate
In the title salt {systematic name: [2-hydroxy-3-(3-methoxyphenyl)cyclohexylmethyl]dimethylazanium 2,4,6-trinitrophenolate}, C16H26NO2
+·C6H2N3O7
−, the cation is protonated at the N atom. The cyclohexane ring adopts a chair conformation with the hydroxy substituent in an axial position. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the cations and anions into supramolecular chains along [100]
2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide
In the title compound, C15H10Cl3NO2, an intramolecular N—H⋯O hydrogen bond forms a six-membered ring and enforces an almost coplanar conformation for the acetamido group, the central benzene ring and the bridging carbonyl C—C(=O)—C group: the dihedral angles between the benzene ring and the acetamide and carbonyl C—C(=O)—C planes are 7.06 (11) and 7.17 (12)°, respectively. The dihedral angle between the two benzene rings is 67.43 (9)°. Because a strong hydrogen-bond donor is involved in the intramolecular interaction, the crystal packing is determined by weak C—H⋯O and C—H⋯Cl interactions
(1RS,6SR)-Ethyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
In the crystal structure of the title compound, C21H18F2O3, the cyclohexene ring has a slightly distorted sofa conformation; the two benzene rings are inclined by 76.27 (8)° and their planes make dihedral angles of 16.65 (10) and 67.53 (7)° with the approximately planar part of the cyclohexenone ring [maximum deviation 0.044 (2) Å, while the sixth atom is displaced by 0.648 (3) Å from this plane]. In the crystal, weak intermolecular C—H⋯O, C—H⋯F and C—H⋯π interactions join molecules into a three-dimensional structure
Ethyl N-(2-benzoyl-4-chlorophenyl)ethanecarboximidate
In the title compound, C17H16ClNO2, the N=C—O—C—C fragment is planar within 0.029 (1) Å, and makes dihedral angles of 66.71 (8) and 59.61 (8)° with the planes of the chlorophenyl and benzoyl rings, respectively. The carbonyl C=O bond is not coplanar with either of the aromatic rings; it makes angles of 42.5 and 23.5° with the normals to the ring planes. In the crystal, very weak C—H⋯O, C—H⋯Cl, C—H⋯π and π–π [interplanar distance = 3.53 (1) Å] interactions are observed
(1RS,6SR)-Ethyl 4-(4-chlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate toluene hemisolvate
In the crystal structure of the title compound, C21H18ClFO3·0.5C7H8, the toluene solvent molecules occupy special positions on centres of symmetry, and consequently are disordered across this site. The cyclohexene ring has a slightly distorted sofa conformation; the two benzene rings are inclined by 72.90 (7)° and their planes make dihedral angles of 30.09 (10) (chlorophenyl) and 88.13 (6)° (fluorophenyl) with the approximately planar part of the cyclohexenone ring [maximum deviation from plane through five atoms is 0.030 (2) Å, the sixth atom is 0.672 (3)Å out of this plane]. Weak intermolecular C—H⋯O and C—H⋯X (X = F, Cl) interactions join molecules into a three-dimensional structure. Also, a relatively short and directional C—Cl⋯F—C contact is observed [Cl⋯F = 3.119 (2) Å, C—Cl⋯F = 157.5 (2)° and C—F⋯Cl 108.3 (2)°]. The solvent molecules fill the voids in the crystal structure and are kept there by relatively short and directional C—H⋯π interactions
(E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one
In the title compound, C21H15BrO, there are two planar rings connected through a conjugated double bond. As it crystallizes in a non-centrosymmetric space group it can be regarded as a good candidate for non-linear optical applications. The molecule adopts an E configuration and the C—C=C—C torsion angle is 177.1 (4)°. The overall conformation of the compound may be described by the values of dihedral angles between the approximately planar parts. The terminal rings are twisted by an angle of 51.52 (9)°, while the biphenyl part is almost planar, the dihedral angle between the planes of the rings being 4.44 (17)°. The unit cell has one long dimension, above 35 Å, characteristic also of a majority of related compounds. The molecules pack head-to-tail along this direction. C—H⋯π interactions are observed in the crystal structure
(2E)-1-(4-Bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
The title compound, C15H10BrFO, is isostructural with (2E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one [Qiu et al. (2006 ▶). Acta Cryst. E62, o3525–o3526], but the structures of other dihalogen analogues, without fluorine, are different, although they are also isostructural within the series. The molecule is approximately flat, the dihedral angle between the ring planes being 8.49 (13)°. In the crystal structure, intermolecular C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds link molecules into V-shaped ribbons running parallel to [101] and stacked with an interplanar distance of approximately 3.53 Å (centroid–vcentroid distance = 3.857 Å).
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