ИСТИНА

Searching and establishment of correlations between the molecular structure of organic compounds, the supramolecular organization in crystals and the properties of materials expands opportunities for the directed design of new compounds with desired physicochemical properties. Recently we established the empirical correlations between the supramolecular structure and its orientation in the crystals [1-2] which suggest that 1D and 2D- supramolecular structures preferebly oriented in the crystals along the shortest parameters of the unit cell. In this work we attempted to expand this approach to the supramolecular structure analysis of a series of N-(pyrrol-3yl)benzimidazolone derivatives containing aromatic fragments and several proton-donor and proton-acceptor centers [3]. According to the X-ray analysis the realization of classical hydrogen bonds in the crystals of majority studied compounds leads to the binding of primary H-synthons into supramolecular structures, the orientation of which obeys this empirical rule. But, the dimensionality of supramolecular structures formed by the classical hydrogen bonds N–H...O depends on the number of independent molecules (Z') in the unit cell. In the case of crystallization with two independent molecules (Z'= 2) the supramolecular structure is represented by infinite layers. Despite the identical intermolecular interactions and synthons in crystals 1–5 the main difference is associated with the number of independent molecules involved in the formation of the same synthons. We link it with the symmetry of the crystals and situation of substituent in the molecule and will be presented in more detail in the presentation.