organic compounds
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The title compound, C26H37NO5, was the reaction product of hellebrigenin with N,N-dimethylformamide. It consists of three cyclohexane rings (A, B and C), one five-membered ring (D) and one dihydropyran ring (E). The stereochemistry of the ring junctions is is A/B cis, B/C trans, C/D cis and C/E trans. The cyclohexane rings A, B and C have chair conformations. Both the five-membered ring D and the dihydropyran ring adopt an envelope conformation. Two orientations are found for the aldehyde group with occupancies of 0.608 (10) and 0.392 (10). In the crystal, short O—HO hydrogen bonds and short C—HO contacts involving the hydroxy group, terminal methyl group and carbonyl group link the molecules into a three-dimensional network.
organic compounds
Open access
The asymmetric unit of the title compound, C7H6O5·0.25H2O, contains two molecules of 2,3,4-trihydroxybenzoic acid, with similar conformations, and one water molecule which lies on a twofold rotation axis. Both acid molecules are essentially planar [maximum r.m.s deviations = 0.0324 (2) and 0.0542 (3) Å for the two acid molecules]. The molecular conformations are stabilized by intramolecular O(phenol)—HO(carboxyl/phenol) interactions. A cyclic intermolecular association is formed between the two acid and one water molecule [graph set R33(12)] involving O—HO hydrogen bonds. The two acid molecules are further linked through a cyclic R22(8) carboxylic acid hydrogen-bonding association, which together with intermolecular O—HO hydrogen-bonding interactions involving the phenol groups and the water molecule, and weak π–π interactions [minimum ring centroid separation = 3.731 (3) Å], give a three-dimensional network.
organic compounds
Open access
The asymmetric unit of the title compound, C10H8N6·2H2O, comprises half the organic species, the molecule being completed by inversion symmetry, and one water molecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water molecules form O—HN hydrogen bonds with N-atom acceptors of the triazole rings. C—HN hydrogen bonds are also observed, giving a three-dimensional framework.