Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots of dl-methionine polymorphs were investigated using combined crystallographic methods, a possible source to observe the intermolecular interactions in the crystal state of polymorphs. The α and β polymorphs of the dl-methionine were crystallized with the presence and absence of structurally similar additive dl-leucine in pure aqueous solution. Hydrogen bonding between amino acid functionalities is a common structural motif employed in crystal engineering studies. Though the two polymorphs share common structural features, however the conformations of α and β-dl-methionine crystal packing are different from each other. Shape index and Curvedness surfaces indicates p-stacking with different properties in divergent sides of the moieties. Moreover, Fingerprint plot showed carbon contacts with similar contributions to the crystal packing in comparison with those associated to hydrogen bonds. Enrichment ratios for H…H, O…H, S…H and C…H contacts revealed a high propensity for the form in the crystal. While, Hirshfeld surface analysis infers a short contact between carbonyl oxygen and neighbouring aryl hydrogen, as well as carbonyl–carbonyl interaction. In addition, energy-framework calculations are used to analyse and visualize the three dimensional topology of the crystal packing. Also, the electrostatic energy framework is dominant over the dispersion energy framework.

使用组合结晶学方法研究了dl-甲硫氨酸多晶型的Hirshfeld 表面分析和二维 (2D) 指纹图，这是观察多晶型晶态中分子间相互作用的可能来源。dl-甲硫氨酸的α和β多晶型物在纯水溶液中存在和不存在结构相似的添加剂dl-亮氨酸的情况下结晶。氨基酸官能团之间的氢键是晶体工程研究中常用的结构基序。尽管这两种多晶型具有共同的结构特征，但是 α 和 β- dl的构象-蛋氨酸晶体填料各不相同。形状指数和曲面表示在部分的不同侧具有不同性质的 p 堆积。此外，指纹图显示碳接触与与氢键相关的碳接触对晶体堆积的贡献相似。H…H、O…H、S…H 和 C…H 触点的富集比显示出晶体中的高度倾向。同时，Hirshfeld 表面分析推断羰基氧与相邻芳基氢之间的短暂接触，以及羰基-羰基相互作用。此外，能量框架计算用于分析和可视化晶体堆积的三维拓扑结构。此外，静电能量框架优于色散能量框架。