An energetic cocrystal TNBI-TANPDO (TNBI, 4,4′,5,5′-tetranitro-2,2′-bi-1H-imidazole; TANPDO, 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide) was rapidly self-assembled in aqueous solution from the precursors of TNBI dihydrate and TANPDO monohydrate. Benefiting from the formation of a novel strong hydrogen bond synthon between TNBI and TANPDO by replacing crystal H₂O molecules in its precursors, TNBI-TANPDO exhibits nearly all of the desirable properties required by energetic materials, including higher density (1.89 g cm⁻³ at room temperature), higher thermostability (275°C), and lower solubility (21 mg in 100 mL) in water relative to the two precursors. Additionally, TNBI-TANPDO is insensitive to mechanical stimuli, although exhibiting an excellent detonation performance (D_v = 8,648 m s⁻¹, P = 33.17 GPa). These desirable properties make TNBI-TANPDO an extremely promising insensitive high explosive. This work provides a new insight into eliminating crystal H₂O of hydration, and a new family of energetic cocrystals with excellent properties can be prepared based on this work.

高能共晶体 TNBI-TANPDO (TNBI, 4,4',5,5'-tetranitro-2,2'-bi-1H-imidazole; TANPDO, 2,4,6-triamino-5-nitropyrimidine-1,3-二水合物）在水溶液中由 TNBI 二水合物和 TANPDO 一水合物的前体快速自组装。_{受益于 TNBI 和 TANPDO 之间通过替换其前体中的晶体 H 2} O 分子形成的新型强氢键合成子，TNBI-TANPDO 表现出几乎所有高能材料所需的特性，包括更高的密度（1.89 g cm ^-3与两种前体相比，在室温下）、更高的热稳定性（275°C）和更低的水中溶解度（21 mg/100 mL）。此外，TNBI-TANPDO 对机械刺激不敏感，但具有出色的爆轰性能（D_v  = 8,648 ms ^-1，P = 33.17 GPa)。这些理想的特性使 TNBI-TANPDO 成为一种极有前途的不敏感高能炸药。_{该工作为消除晶体水合H 2} O提供了新的思路，并可以在此基础上制备出一系列具有优异性能的高能共晶。