85 research outputs found
(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-(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
4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethylformamide monosolvate
In the molecule of deferasirox dimethylformamide solvate, C21H15N3O4·C3H7NO, the central 1,2,4-triazole ring is tilted with respect to the benzoic acid and one of the 2-hydroxyphenyl units but coplanar with the other 2-hydroxyphenyl group, as indicated by the dihedral angles of 33.69 (9), 72.57 (8) and 5.18 (9)°, respectively. Intramolecular O—H⋯N hydrogen bonds generate an S(6) ring motif. In the crystal, deferasirox molecules are linked by O—H⋯N hydrogen bonds and weak C—H⋯O interactions into chains along the c axis. The dimethylformamide solvent molecules are located between the deferasirox chains and are linked to the deferasirox molecules by O—H⋯O hydrogen bonds and weak C—H⋯O interactions
S-Benzylthiouronium 3-nitrobenzenesulfonate
In the title compound, C8H11N2S+·C6H4NO5S−, the asymmetric unit is composed of two crystallographically independent S-benzylthiouronium cations and two independent nitrobenzenesulfonate anions. An intramolecular hydrogen bond generates an S(5)S(5) ring motif. The crystal packing is stabilized by intramolecular C—H⋯O and intermolecular C—H⋯O, N—H⋯O and N—H⋯S hydrogen bonds which, along with short S⋯O [3.034 (2) Å] and N⋯O [2.796 (3) Å] contacts, form a two-dimensional network parallel to the ab plane
(3Z,3′Z)-3,3′-(3,5-Dimethylfuran-2,4-diyl)bis(4-hydroxypent-3-en-2-one)
In the title molecule, C16H20O5, the two 4-hydroxypent-3-en-2-one units are essentially planar, with r.m.s. deviations of 0.0183 (2) and 0.0134 (2) Å for the non-H atoms, and make dihedral angles of 81.20 (10) and 84.44 (10)° with the central furan ring. The dihedral angle between these two side units is 22.06 (9)°. Two intramolecular O—H⋯O hydrogen bonds generate two S(6) ring motifs. A weak intermolecular C—H⋯O interaction is also observed
4-Chloro-N′-[(Z)-4-nitrobenzylidene]benzohydrazide monohydrate
In the title compound, C14H10ClN3O3·H2O, the benzohydrazide group is not planar and the molecule exists in a cis configuration with respect to the methylidene unit. The dihedral angle between the two substituted benzene rings is 38.7 (3)°. In the crystal structure, molecules are linked by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds into a two-dimensional network parallel to the (100) plane. The crystal structure is further stabilized by weak C—H⋯O interactions
(E)-3-(4-Methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
The asymmetric unit of the title compound, C16H13NO3, contains two independent molecules related approximately by a pseudo-twofold rotation axis. The dihedral angle between the nitrobenzene and methylphenyl rings is 42.18 (6)° in one molecule and 12.97 (6)° in the other. In both molecules, the nitro group is slightly twisted away from the attached benzene ring. In the crystal structure, the molecules are stacked along the b axis and are linked via C—H⋯O and C—H⋯π interactions
(E)-4-Amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate
In the title solvate, C11H11N3O2S·CH3NO2, the dihedral angle between the benzene ring and the N-containing ring is 85.94 (11)°, and an approximate V shape arises for the sulfonamide molecule. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds and weak C—H⋯O interactions link the sulfonamide molecules into a three-dimensional network. The nitromethane solvent molecules are located in the interstitial sites in the sulfonamide network
(E)-1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
The structure of the title compound, C15H10BrClO, comprises two substituted benzene rings bridged by a prop-2-en-1-one group and exists in an E configuration about the C=N double bond. The dihedral angle formed between the 4-bromophenyl and 2-chlorophenyl rings is 23.77 (18)°. In the crystal structure, the molecules are linked by weak C—H⋯O interactions, forming a supramolecular zigzag chain. Intramolecular C—H⋯Cl and C—H⋯O hydrogen bonds are also present
3-Fluoroanilinium 4-methylbenzenesulfonate
In the crystal structure of the title salt, C6H7FN+·C7H7O3S−, the components are linked into chains along [010] via N—H⋯O hydrogen bonds. Further stabilization is is provided by weak π–π stacking interactions, with a centroid–centroid distance of 3.7156 (12) Å
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