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Polymorphism in secondary benzene sulfonamides

机译：仲苯磺酰胺中的多态性

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The role of about 20 different solvents in the crystallization of polymorphs for 13 N-phenyl benzene sulfonamides was studied. Five compounds (1, 2, 3, 7, and 11) are dimorphic, and one is trimorphic (6). All the crystalline solids were characterized by powder and single crystal X-ray diffraction, thermal analysis, hot stage microscopy, and IR and Raman spectroscopy. The phase transition from a metastable form to the stable form was examined visually for two compounds (1, 11) on a HSM and confirmed by differential scanning calorimetry and X-ray diffraction. The N-H?O hydrogen bond catemer (chain) and dimer (cyclic) motifs of the sulfonamide group were analyzed as the main difference between polymorphs of 1, 3, and 6. Weaker C-H?O interactions differentiate the molecular packing of other polymorphic systems. Accordingly, these crystal structures are referred to as synthon polymorphs. The occurrence of N-H?O catemer and dimer synthon in secondary sulfonamides is compared with crystal structures in the Cambridge database. The nearly equal probability of the dimer and catemer motifs for secondary sulfonamides (～19%) is attributed to the possibility of making the catemer synthon via both anti and syn oxygen atoms of the SO_2NH group, with the former acceptor being preferred in two-thirds of the cases.
机译：研究了约20种不同溶剂在13种N-苯基苯磺酰胺多晶型物结晶中的作用。五个化合物（1、2、3、7和11）是双晶的，一个是三晶的（6）。所有结晶固体均通过粉末和单晶X射线衍射，热分析，热台显微镜以及IR和拉曼光谱进行表征。在HSM上目视检查了两种化合物（1、11）从亚稳态形式到稳定形式的相变，并通过差示扫描量热法和X射线衍射确认。分析了磺酰胺基团的N-H2O氢键catemer（链）和二聚体（环状）基序是1、3和6多晶型之间的主要区别。较弱的C-H2O相互作用可区分其他多晶型系统的分子堆积。因此，这些晶体结构被称为合成子多晶型物。在剑桥数据库中，将仲磺酰胺中N-H2O catemer和二聚体合成子的出现与晶体结构进行了比较。仲磺酰胺类的二聚体和catemer基序几乎相等的概率（〜19％）归因于可以通过SO_2NH基团的反和顺氧原子制造catemer合成子的可能性，其中前三者的三分之二是优选的的情况。

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