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 R 4 2(8) ring and C 2 2(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.
Highlights
C20H17Cl3O5H2O, the nidulin molecule consists of three rings, the folded central dioxepin-11-one ring being fused on both sides to phenyl rings
The crystal structure is stabilized by intermolecular O—H O and
O—H (O,O) hydrogen bonds mediated by two inversionrelated water molecules, generating R24(8) ring and C22(4) chain motifs
Summary
(E)-2,4,7-Trichloro-3-hydroxy-8-methoxy1,9-dimethyl-6-(1-methyl-1-propenyl)11H-dibenzo[b,e][1,4]dioxepin-11-one monohydrate (nidulin monohydrate) Ngamrojanavanicha and Prasat Kittakoopb a Department of Chemistry, Faculty of Science, Chulalongkorn University, Phyathai Road, Pathumwan, Bangkok 10330, Thailand, and bChulabhorn Research Institute and Chulabhorn Graduate Institute, Vibhavadi-Rangsit Highway, Bangkok 10210, Thailand
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