The Crystal Structure of Guanidinium Sulphate Hemiperoxosolvate

Abstract

The structure of novel guanidinium‐containing peroxosolvate 2(CH6N3)+SO42− ⋅ H2O2 is presented. The 3D packing motif is stabilized by four hydrogen bonds formed by hydrogen peroxide molecules.

Non-covalent interactions of the hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts

“…[19][20][21] As a result, several new classes of peroxosolvates containing hydrogen peroxide clusters, 22 tetraalkylammonium salts, 23 halide-containing compounds, 24 amino acid perhydrates, 25,26 and others were synthesized. 21,27,28 Since hydroperoxides and hydrogen peroxide are related compounds, similar approaches for the stabilization of their cocrystals with organic or inorganic molecules should be considered. Hence, the same type of crystal data analysis and computational methods can be used to study organic hydroperoxides crystalline adducts (HPCA) with various types of coformers.…”

“…19–21 As a result, several new classes of peroxosolvates containing hydrogen peroxide clusters, 22 tetraalkylammonium salts, 23 halide-containing compounds, 24 amino acid perhydrates, 25,26 and others were synthesized. 21,27,28…”

Polymorphism and Peroxomorphism in Peroxosolvates of Zwitterionic Sulfonic Acids: Features of H-Bonding and Crystal Packing

“…5.43, September 2022), in the last decade the number of structurally characterized metal-free (true) peroxosolvates exceeded this value for the whole previous century (67 vs 43). That was due to growing concernment in prospective multicomponent materials, where hydrogen peroxide can sufficiently change physicochemical properties of parent coformers , or cooperatively increase their beneficial action. − The efforts were mainly focused on (1) peroxosolvates acting as stable and efficient oxidizing agents for organic synthesis; − (2) peroxosolvates of energetic materials with improved detonation properties (velocity and pressure) and oxygen balance; − and (3) peroxosolvates of active pharmaceutical ingredients with enhanced biological activity. − As a result, a large number of hydrogen peroxide adducts with organic coformers bearing functional groups were synthesized and their crystal structures (usually built by hydrogen bonds of H 2 O 2 with these specific fragments) were determined: −NO 2 – , − −CO 2 – , − N + → O – , ,− PO, ,− −NH 2 , ,,, −NH 3 + , − , −OH, , Alk 2 O, −CO 2 H, −C(O)–N<, ,, >N–N<, , −SO 2 – , pyridyl, , pyridylH + , , furyl, H 2 O 2 , ,,,, Hal – , , etc. Surprisingly, peroxosolvates containing sulfonate groups −SO 3 – were not reported to date despite the extreme significance of sulfonates in indus...…”

“…14−17 The efforts were mainly focused on (1) peroxosolvates acting as stable and efficient oxidizing agents for organic synthesis; 18−20 (2) peroxosolvates of energetic materials with improved detonation properties (velocity and pressure) and oxygen balance; 21−23 and (3) peroxosolvates of active pharmaceutical ingredients with enhanced biological activity. 24−26 As a result, a large number of hydrogen peroxide adducts with organic coformers bearing functional groups were synthesized and their crystal structures (usually built by hydrogen bonds of H 2 O 2 with these specific fragments) were determined: −NO 2 − , 26−28 −CO 2 − , 29−32 N + → O − , 25,33−35 P� O, 20,36−39 −NH 2 , 22,23,40,41 −NH 3 + , [29][30][31]42 −OH, 29,30 Alk 2 O, 43 −CO 2 H, 26 −C(�O)−N<, 14,44,45 >N−N<, 28,46 −SO 2 − , 47 pyridyl, 47,48 pyridylH + , 26,49 furyl, 26 H 2 O 2 , 14,20,22,48,50 Hal − , 51,52 etc. Surprisingly, peroxosolvates containing sulfonate groups −SO 3…”