FIGURE S1 Clip-like geometries of cations to encapsulate a portion of another cation in the self-assembly of the salt [(HSTZ)(2,6-Hpdc)]ˑ0.5H2O

FIGURE S2: Aromatic stacks and C–HˑˑˑO hydrogen bonds in the self-assembly of the Complex 1

FIGURE S3: Aromatic stacks and N–HˑˑˑN hydrogen bonds in the self-assembly of the Complex 2

FIGURE S4: Aromatic stacks and N–HˑˑˑN hydrogen bonds in the self-assembly of the Complex 3

FIGURE S5: Bar diagrams of CFU counts from antibacterial activities of sulfathiazole salt [(HSTZ)(2,6-Hpdc)]⋅0.5H2O (abbreviated as 2,6-pdc-STZ) and the three complexes (2.5 μg/m of each compound and taking untreated as 100%)

TABLE S1: Hydrogen bond parameters of the salt and complexes