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Compounds (299) containing 494 symmetrically independent pyridine-2,6-dicarboxylate moieties have been investigated. Among them the structures of Na(3)[Nd(Pydc)(3)].14H(2)O and Na(3)[Er(Pydc)(3)].11.5H(2)O, where H(2)Pydc is pyridine-2,6-dicarboxylic acid, were determined by single-crystal X-ray diffraction, while the others were taken from the Cambridge Structural Database. The characteristics of any complex by means of the ;method of crystallochemical analysis' are described, and the coordination types of all the Pydc ions and crystallochemical formulae of all the compounds were determined. Although the ion can act as a mono-, bi-, tri-, tetra- and pentadentate ligand, 96% of Pydc ions are coordinated to the central A atom in the tridentate-chelating mode. The dependence of the denticity and geometry of pyridine-2,6-dicarboxylate, as well as of the composition of Pydc-containing complexes, was studied as a function of the nature of the A atom, the molar ratio Pydc:A and the presence of neutral or acidic ligands in the reaction mixture.

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An analysis of nonvalent interactions in 29 crystal structures of compounds that have the C a H b N c O d composition (salicylaldoxime, glycine, and 2,4,6,8,10,12 hexaazaisowurzitane) and form polymorphic modifications is performed using molecular Voronoi-Dirichlet polyhedra. It is found that each conforma tional polymorph is characterized by a unique combination of the types of intramolecular and intermolecular nonvalent interactions. It is shown that a criterion which takes into account the total number of intramolec ular nonvalent contacts and their distribution depending on the nature of neighboring atoms and the rank of faces of molecular Voronoi-Dirichlet polyhedra can be used to reveal conformational polymorphs.

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Crystal chemical analysis of eight polymorphs of flufenamic acid (FFA, C14H10NO2F3)the current record-holder of the number of structurally characterized polymorphic modificationswas carried out using the method of molecular Voronoi–Dirichlet polyhedra. It was proved that every polymorph of FFA, as every polymorph of the previous record-holder ROY (C12H9N3O2S), has a unique set of types of intra- and intermolecular noncovalent interactions.

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