427 research outputs found
(E)-3-(2-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
In the title chalcone derivative, C15H9Cl3O, the dihedral angle between the 2-chlorophenyl and 2,4-dichlorophenyl rings is 41.79 (14)°. Weak C—H⋯O and C—H⋯Cl intramolecular interactions involving the enone unit generate S(5) ring motifs. In the crystal structure, the molecules are arranged in a head-to-tail manner along the a axis. These chains are stacked along the b axis
2-Bromo-1-(4-methylphenyl)-3-phenylprop-2-en-1-one. Corrigendum
Corrigendum to Acta Cryst. (2008), E64, o1559
(E)-1-(2-Thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
In the title molecule, C16H16O4S, the enone fragment, thiophene ring and benzene ring are individually essentially planar. The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C—C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is 0.872 (2):0.128 (2). The major component of the thiophene ring and the benzene ring are twisted from each other by 13.92 (19)°. An intramolecular C—H⋯O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen-bonding interactions. In addition, a π–π stacking interaction, with a centroid–centroid distance of 3.852 (2) Å, and short S⋯O [2.9378 (12) Å] and O⋯O [2.5811 (16) Å] contacts are observed
(E)-3-(2-Chlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
The title compound, C16H13ClO2, adopts an E configuration with respect to the double bond of the propenone unit. The two benzene rings are twisted slightly from each other, making a dihedral angle of 7.14 (5)°. The molecules are arranged in stacks, in which adjacent molecules are related by inversion symmetry and form π–π interactions with a centroid–centroid distance of 3.7098 (6) Å. C—H⋯O and C—H⋯π interactions are formed between neighbouring molecules
(E)-3-(4-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one
In the title molecule, C13H9ClO2, the benzene and furyl rings are slightly twisted from each other with a dihedral angle of 5.1 (1)°. An intramolecular C—H⋯O hydrogen-bond interaction generates an S(5) ring motif. In the crystal structure, molecules are stacked along the b axis and the crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds
(E)-3-(4-Chlorophenyl)-1-(2-thienyl)prop-2-en-1-one
The title compound, C13H9ClOS, adopts an E configuration with respect to the C=C double bond of the propenone unit. The thienyl and benzene rings are slightly twisted from each other, making a dihedral angle of 6.38 (3)°. An intramolecular C—H⋯O hydrogen bond generates an S(5) ring motif. A weak intermolecular C—H⋯O interaction, a short intramolecular S⋯O contact [2.932 (2) Å] and two π–π interactions between the thienyl and benzene rings are observed. The centroid–centroid distances of the π–π interactions are 3.7899 (16) and 3.7891 (16) Å
(E)-3-(3,4-Dimethoxyphenyl)-1-(2-furyl)prop-2-en-1-one
In the title molecule, C15H14O4, the benzene and furyl rings are inclined to each other with a dihedral angle of 41.5 (1)°. An intramolecular C—H⋯O hydrogen-bond interaction generates an S(5) ring motif. In the crystal structure, molecules are stacked along the b axis and the crystal packing is stabilized by intermolecular C—H⋯O and C—H⋯π interactions. In addition, π–π stacking interactions with a centroid-to-centroid distance of 3.5855 (11) Å are observed
Melitracenium chloride
In the title compound [systematic name: 3-(10,10-dimethylanthracen-9-ylidene)-N,N,N-trimethylpropanaminium chloride], C21H26N+·Cl−, the cyclohexane ring adopts a chair conformation. The dihedral angle between the terminal benzene rings is 40.43 (12)°. In the crystal, ions are linked through intermolecular N—H⋯Cl and C—H⋯Cl hydrogen bonds, forming supramolecular layers parallel to the bc plane
4-[(E)-2,6-Dichlorobenzylideneamino]-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione
In the title Schiff base compound, C21H22Cl2N4S, the triazole ring makes dihedral angles of 2.15 (11) and 87.48 (11)° with the 2,6-dichlorophenyl and methylpropylphenyl rings, respectively. Weak intramolecular C—H⋯S and C—H⋯Cl interactions generate S(6) and S(5) ring motifs, respectively. In the crystal structure, centrosymmetrically related molecules are linked into dimers by N—H⋯S hydrogen bonds. These dimers are arranged into sheets parallel to the ab plane and are stacked along the c axis. C—H⋯π interactions involving the methylpropylphenyl ring and π–π interactions involving the dichlorophenyl ring [centroid–centroid distance = 3.5865 (3) Å] are also observed
3,3-Dimethyl-2-benzofuran-1(3H)-one
In the title compound, C10H10O2, all the non-H atoms except the methyl C atoms lie on a crystallographic mirror plane. In the crystal, C—H⋯O hydrogen bonds link the molecules into zigzag chains running parallel to [100]. Weak π–π stacking interactions between the benzene rings [centroid–centroid distance = 3.9817 (5) Å] link the chains in the [010] direction
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