Abstract Thiazolo[5,4-d]thiazole-2,5-dicarboxylic acid, C 6 H 2 N 2 O 4 S 2 , was isolated as a polycrystalline material, and its crystal structure was determined by ab-initio X-ray powder diffraction (XRPD) methods. This species, upon deprotonation, was subsequently used in preparing the new coordination polymers Ag 2 (C 6 N 2 O 4 S 2 ), Mn(C 6 N 2 O 4 S 2 )(H 2 O) 2 , Co(C 6 N 2 O 4 S 2 )(H 2 O) 2 , Cu(C 6 N 2 O 4 S 2 )(H 2 O) and Zn(C 6 N 2 O 4 S 2 )(H 2 O) 2 , fully characterized by analytical, thermal and XRPD structural methods – including in situ thermodiffractometry and simultaneous TGA and DSC. In the first-row transition metal derivatives, the [C 6 N 2 O 4 S 2 ] 2− anion systematically prefers the N , O -chelating, vs. the expected O , O ′-bridging, coordination mode, not allowing the formation of porous 3D frameworks. Indeed, these species are dense 1D coordination polymers. At variance, the silver derivative possesses a complex, dense 3D framework, due to the presence of μ 6 -[C 6 N 2 O 4 S 2 ] 2− ligands showing two μ 2 -bridging carboxylates and two monohapto N -donor sites. When dehydration is viable, materials of E n (C 6 N 2 O 4 S 2 ) formulation are irreversibly recovered ( n = 1 for E = Mn, Co, Zn, Cu; n = 2, for E = H).

中文翻译：

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噻唑并[5,4-d]噻唑-2,5-二羧酸，C6H2N2O4S2，及其配位聚合物

摘要 噻唑并[5,4-d]噻唑-2,5-二羧酸，C 6 H 2 N 2 O 4 S 2 被分离为多晶材料，其晶体结构由 ab-initio X 射线粉末测定衍射（XRPD）方法。该物种在去质子化后随后用于制备新的配位聚合物 Ag 2 (C 6 N 2 O 4 S 2 )、Mn(C 6 N 2 O 4 S 2 )(H 2 O) 2 、Co(C 6 N 2 O 4 S 2 )(H 2 O) 2 、Cu(C 6 N 2 O 4 S 2 )(H 2 O) 和 Zn(C 6 N 2 O 4 S 2 )(H 2 O) 2 ，完全通过分析、热和 XRPD 结构方法表征 - 包括原位热衍射和同时 TGA 和 DSC。在第一排过渡金属衍生物中，[C 6 N 2 O 4 S 2 ] 2− 阴离子系统地偏爱 N , O - 螯合，而不是预期的 O , O '-桥接，配位模式，不允许形成多孔 3D 框架。确实，这些物种是致密的一维配位聚合物。在不同情况下，由于存在显示两个 μ 2 桥接羧酸盐和两个单触头 N 供体位点的 μ 6 -[C 6 N 2 O 4 S 2 ] 2- 配体，银衍生物具有复杂、密集的 3D 框架。当脱水可行时，E n (C 6 N 2 O 4 S 2 ) 配方的材料不可逆地恢复（对于 E = Mn、Co、Zn、Cu，n = 1；对于 E = H，n = 2）。