Hydrogen Peroxide Insular Dodecameric and Pentameric Clusters in Peroxosolvate Structures

Abstract

Peroxosolvates of 2-aminonicotinic acid (I)a nd lidocaine N-oxide( II)i ncluding the largest insular hydrogen peroxideclusters were isolated and their crystal structures were determined by single-crystal X-ray diffraction. An unprecedented dodecameric hydrogen peroxide insular cluster was found in I.A nu nusual cross-like pentameric cluster was observed in the structure of II.T he topology of the (H 2 O 2 ) 12 assembly was never observed for small-molecule clusters.InI and II new double and triple cross-orientational disorders of H 2 O 2 were found. Cluster II is the first example of ap eroxosolvate crystal structure containing H 2 O 2 molecules with ahomoleptic hydrogen peroxide environment. In II,ahydrogen bond between an H 2 O 2 molecule and ap eptide group -CONH···O 2 H 2 was observed for the first time.