organic compounds
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The asymmetric unit of the title compound, C36H32N22+·2I−, consists of one half-molecule of the cation and one I− anion. The cation is located on an inversion centre. The dihedral angle between the pyridinium ring and the naphthalene ring system in the asymmetric unit is 19.01 (14)°. In the crystal, the cations and the anions are linked by C—HI interactions into a layer parallel to the bc plane. Intra- and intermolecular π–π interactions with centroid–centroid distances of 3.533 (2)–3.807 (2) Å are also observed.
organic compounds
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In the title aza-flavanone, C18H19NO4, an intramolecular cyclization product of chalcone, the central heterocyclic ring is in an envelope conformation and the dihedral angle between the benzene rings is 51.03 (10)°. The methoxy groups at the ortho and para positions are slightly twisted from the benzene ring to which they are bound [C—O—C—C = 21.9 (3) and −171.93 (18)°, respectively], whereas the methoxy group at the meta position is almost coplanar [C—O—C—C = 3.5 (3)°]. In the crystal, molecules are linked by N—HO hydrogen bonds and weak C—HO interactions into chains along the [001] direction. Weak C—Hπ interactions also occur.
organic compounds
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The asymmetric unit of the title compound, C17H20NO3+·C6H5O3S−·H2O, comprises two 1-methyl-2-[(E)-2,4,5-trimethoxystyryl]pyridinium cations, two benzenesulfonate anions and two water molecules. The cations exist in the E conformation with respect to the C=C bond; one cation is essentially planar while the other is slightly twisted, the dihedral angles between the pyridinium and phenyl rings being 1.23 (14) and 6.64 (13)°, respectively. In the crystal, cations, anions and water molecules are linked by O—HO hydrogen bonds and weak C—HO interactions into chains along the b axis. π–π interactions with centroid–centroid distances in the range 3.5557 (16)–3.6876 (16) Å are observed. C—Hπ interactions and a CO short contact [2.94 (4) Å] are also observed.
organic compounds
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The title compound (systematic name: 7-oxo-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-4-yl acetate), C15H16O5, is a styryllactone derivative which was isolated from Goniothalamus macrophyllus. The molecule has two fused rings consisting of a tetrahydro-2H-pyran and a lactone ring, with the benzene ring and the acetyl group attached to the tetrahydro-2H-pyran ring. The tetrahydro-2H-pyran ring is in a standard chair conformation, whereas the lactone ring is in an envelope conformation. In the crystal, molecules are linked by weak C—HO interactions into sheets parallel to the ac plane. Weak C—Hπ interactions are also observed.
organic compounds
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The molecule of the title benzamide derivative, C13H10BrNO, is twisted with the dihedral angle between the phenyl and 4-bromophenyl rings being 58.63 (9)°. The central N—C=O plane makes dihedral angles of 30.2 (2) and 29.2 (2)° with the phenyl and 4-bromophenyl rings, respectively. In the crystal, molecules are linked by N—HO hydrogen bonds into chains along [100]. C—Hπ contacts combine with the N—HO hydrogen bonds, to form a three-dimensional network.
organic compounds
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The title compound, C33H42O5, known as xerophenone A {systematic name: (1R,3R,4R,6S,8E,10R)-10-hydroxy-8-[hydroxy(phenyl)methylene]-4-methyl-1,6-bis(3-methylbut-2-en-1-yl)-3-(3-methylbut-3-en-1-yl)-11-oxatricyclo[4.3.1.14,10]undecane-7,9-dione} is a naturally occurring rearranged benzophenone compound which was isolated from the twigs of Garcinia propinqua. The absolute configuration was determined by refining the Flack parameter to 0.18 (16). The absolute configurations at positions 1, 3, 4, 6 and 10 of the xerophenone A are R, R, R, S and R. In the molecule, the cyclohexane-1,3-dione, tetrahydro-2H-pyran and tetrahydrofuran rings adopt twisted boat, standard chair and envelope conformations, respectively. The 3-methylbut-3-en-1-yl substituent is disordered over two sets of sites in a 0.771 (11):0.229 (11) ratio. An intramolecular O—HO hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by O—HO and weak C—HO interactions into a chain along the a axis. A very weak C—Hπ interaction and CO short contact [2.989 (2) Å] are also present.
organic compounds
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In the title xanthone derivative [systematic name: 9-hydroxy-5,10-dimethoxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-one], C25H28O6, the xanthone ring system is roughly planar, with an r.m.s. deviation of 0.1038 (1) Å. The chromane ring is in a half-chair conformation and the 3-methylbut-2-enyl substituent is axially attached with an (+)-anticlinal conformation. Two weak intramolecular C—HO interactions generate two S(6) ring motifs. In the crystal, molecules are linked into ribbons along the c axis by O—HO and weak C—HO hydrogen bonds. A π–π interaction, with a centroid–centroid distance of 3.5413 (8) Å, is also observed.
organic compounds
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The title 2-azabicyclo[2.2.2]octa-2,5-diene derivative, C14H18N4O, crystallized out with two independent molecules with similar conformations in the asymmetric unit. In each molecule, the three six-membered rings adopt boat conformations. The molecules exist in the enamine form. In the crystal, molecules are linked by N—HO and N—HN hydrogen bonds into a two-dimensional network parallel to the ab plane.
organic compounds
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In the asymmetric unit of the title compound, C14H11N5O6, there are three crystallographically independent molecules with similar conformations but some differences in bond angles. The molecules are slightly twisted with the dihedral angles between the benzene rings being 10.02 (14), 8.41 (15) and 1.40 (14)°. In each molecule, an intramolecular N—HO hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by weak C—HO interactions into a three-dimensional network. π–π interactions with centroid–centroid distances of 3.5635 (17)–3.8273 (18) Å are observed.
organic compounds
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In the cation of the title compound, C18H23N2+·C7H7O4S−·H2O, one ethyl group of the diethylamino unit is disordered over two sets of sites in a 0.665 (6):0.335 (6) ratio. The styrylpyridinium unit is nearly planar, with a dihedral angle between the pyridinium and benzene rings of 4.27 (8)°. In the crystal, the anion ring is almost perpendicular to the aromatic rings of the cation; the sulfonate-substituted benzene ring forms dihedral angles of 89.60 (8) and 89.37 (8)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal, the three components are linked into a three-dimensional network by O—HO and C—HO hydrogen bonds. π–π interactions with centroid–centroid distances of 3.6999 (9) and 3.7106 (9) Å are also present.