More nitro groups accord benzenes with higher energy but lower chemical stability. Hexanitrobenzene (HNB) with a fully nitrated structure has stood as the energy peak of organic explosives since 1966, but it is very unstable and even decomposes in moist air. To increase the energy limit and strike a balance between energy and chemical stability, we propose an interval full-nitro-nitroamino cooperative strategy to present a new fully nitrated benzene, 1,3,5-trinitro-2,4,6-trinitroaminobenzene (TNTNB), which was synthesized using an acylation-activation-nitration method. TNTNB exhibits a high density ( d : 1.995 g cm −3 at 173 K, 1.964 g cm −3 at 298 K) and excellent heat of detonation ( Q : 7179 kJ kg −1 ), which significantly exceed those of HNB ( Q : 6993 kJ kg −1 ) and the state-of-the-art explosive CL-20 ( Q : 6534 kJ kg −1 ); thus, TNTNB represents the new energy peak for organic explosives. Compared to HNB, TNTNB also exhibits enhanced chemical stability in water, acids, and bases.

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Research on new supramolecular synthons facilitates the progress of materials design. Herein, the ability of sp2 carbonyl oxygen atoms to act as halogen‐bond acceptors was established through cocrystallization. Four sets of carbonyl compounds, including aldehydes, ketones, esters, and amides, were selected as halogen‐bond acceptors. In the absence of strong hydrogen bonds, 14 out of 16 combinations of halogen‐bond donors and acceptors could form cocrystals, whereby the supramolecular synthon C=O⋅⋅⋅X acts as the main interaction. Further, the geometric parameters of the C=O⋅⋅⋅X interaction were statistically revealed on the basis of the crystallographic database. The bifurcated interaction mode that has been observed in other halogen‐bond synthons rarely occurs in the case of C=O⋅⋅⋅X. The robustness of C=O⋅⋅⋅X makes its application in crystal engineering possible and opens up new opportunities in designing multicomponent fluorescent materials, as indicated by multicolor emission of cocrystals D through C=O⋅⋅⋅X interactions.