The crystal and molecular structure of magnesium hexa-antipyrine perchlorate

Abstract

The structure of magnesium hexa-antipyrine perchlorate, Mg(C₁₁H₁₂ON₂)₆(ClO₄) ₂, has been solved by isomorphous difference-Patterson and trial-and-error methods. The compound crystallizes in the hexagonal system, space group P3̅, with one formula unit in a unit cell of dimensions a = 14.06, c = 9.76 Å. The positional and anistropic thermal parameters of the atoms were refined by the method of least squares to an R value of 0.132 for 1184 observed reflexions. In the structure, the six 3 equivalent antipyrine molecules are coordinated octahedrally to the central Mg²⁺ ion through their lone carboxyl oxygen atoms. The pyrazolone and the phenyl rings in the antipyrine group are planar and are inclined to each other by 62.3°. The non-equivalent Cl-O distances in the structure are 1.448 and 1.437 Å.