(E)-2,4,7-Trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methyl-1-propenyl)-11H-dibenzo[b,e][1,4]dioxepin-11-one monohydrate (nidulin monohydrate)

Abstract

In the title compound, C20H17Cl3O5·H2O, the nidulin molecule consists of three rings, the folded central dioxepin-11-one ring being fused on both sides to phenyl rings. The molecular structure is stabilized by intramolecular O—H...Cl and C—H...Cl hydrogen bonds that generate S(6) ring motifs. The crystal structure is stabilized by intermolecular O—H...O and O—H...(O,O) hydrogen bonds mediated by two inversion-related water molecules, generating R42(8) ring and C22(4) chain motifs. Weak intermolecular Cl...O halogen bonds are also present with Cl...O distances of 3.071 (1) and 3.182 (2) Å.