Crystal Structure Determination and Hirshfeld Analysis of a New Alternariol Packing Polymorph

A new polymorph of the mycotoxin alternariol is reported and characterized by single crystal X-ray diffraction. Structural data, Hirshfeld surface analysis, and 2D fingerprint plots are used to compare differences in the intermolecular interactions of the orthorhombic Pca2(1) Form I (previously reported) and the monoclinic P2(1)/c Form II (herein reported). The polymorphs have small differences in planarity-7.55 degrees and 2.19 degrees between the terminal rings for Form I and Form II, respectively-that brings about significant differences in the crystal packing and O-H horizontal ellipsis H interactions.