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

Overview

Journal Crystals (Basel)

Date 2022 Aug 15

PMID 35968538

Authors

Kelly L Rue

Guodong Niu

Jun Li

Raphael G Raptis

Affiliations

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Abstract

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 2 Form I (previously reported) and the monoclinic 2/ Form II (herein reported). The polymorphs have small differences in planarity-7.55° and 2.19° between the terminal rings for Form I and Form II, respectively-that brings about significant differences in the crystal packing and O-H … H interactions.

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