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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—HO hydrogen bonds generate two S(6) ring motifs. A weak intermolecular C—HO interaction is also observed.
organic compounds
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The absolute structure of the molecule in the crystal of the title compound, C17H14N2OS, was determined by the refinement of the Flack parameter to 0.0 (2) based on 1011 Friedel pairs. The quinazoline ring is essentially planar, with a maximum deviation of 0.037 (2) Å. The thiazole ring is distorted from planarity [maximum deviation = 0.168 (2) Å] and adopts a slightly twisted envelope conformation, with the C atom as the flap atom. The central thiazole ring makes dihedral angles of 7.01 (8) and 76.80 (10)° with the quinazoline and phenyl rings, respectively. The corresponding angle between the quinazoline and phenyl rings is 3.74 (9)°. In the crystal, there are no classical hydrogen bonds but stabilization is provided by weak C—Hπ interactions, involving the centroids of the phenyl rings.
organic compounds
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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—HO and N—HN hydrogen bonds and weak C—HO interactions link the sulfonamide molecules into a three-dimensional network. The nitromethane solvent molecules are located in the interstitial sites in the sulfonamide network.
organic compounds
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The asymmetric unit of the title compound, C17H23NO2, consists of two crystallographically independent molecules (A and B). The cyclohexene rings in both molecules adopt an envelope conformation. In the crystal, independent molecules, A and B, are each linked by intermolecular bifurcated (N,O)—HO hydrogen bonds, generating R21(7) ring motifs and forming infinite chains along the b axis.
organic compounds
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In the title compound, C16H16N2O, the essentially planar 1,2-dihydropyridine ring [maximum deviation = 0.021 (1) Å] makes a dihedral angle of 85.33 (8)° with the benzene ring. In the crystal, molecules are linked into a chain along the b axis via C—HO interactions.
organic compounds
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In the title compound, C11H15NOS, the 3-(dimethylamino)prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975 (14) Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96 (10)° with the thiophene ring. In the crystal, molecules are linked by pairs of C—HO hydrogen bonds into inversion dimers with R22(14) ring motifs. The dimers are stacked along the c axis through C—Hπ interactions. The two methyl groups, attached to the thiophene ring and the amino N atom, are each disordered over two orientations, with site-occupancy ratios of 0.59 (4):0.41 (4) and 0.74 (4):0.26 (4), respectively.
organic compounds
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In the title compound, C9H13NO2S, the mean planes of thiophene ring [maximum deviation = 0.0042 (10) Å] and ethoxycarbonyl group [0.0242 (15) Å] are almost coplanar [dihedral angle between them = 0.68 (11)°]. The H atoms of the two methyl groups attached to the thiophene ring are each disordered over two orientations with site-occupancy ratios of 0.77 (4):0.23 (4) and 0.84 (4):0.16 (4). An intramolecular N—HO hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—HO hydrogen bonds into an infinite wave-like chain running parallel to the b-axis direction. The crystal structure also features C—Hπ interactions.
organic compounds
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In the title compound, C14H18N2O3S, the cyclohexene ring exhibits a distorted half-chair conformation and its mean plane makes a dihedral angle of 46.18 (8)° with the benzene ring. In the crystal, molecules are linked via N—HO, N—H(O,O) and C—HO hydrogen bonds, forming a three-dimensional network.
organic compounds
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In the title compound, C16H12F3N3O2S·0.47C2H5OH·0.53CH3OH, the quinoline ring system is approximately planar, with a maximum deviation of 0.035 (3) Å, and makes a dihedral angle of 52.67 (9)° with the benzene ring. The F atoms of the –CF3 group are disordered over two orientations, with refined site occupancies of 0.56 (2) and 0.44 (2). A single solvate site is occupied at random by ethanol or methanol, with refined site occupancies of 0.470 (6) and 0.530 (6), respectively. In the crystal, molecules are linked via N—HO, N—HN, O—HO and C—HO hydrogen bonds, thereby forming sheets lying parallel to (010).