Abstract
The crystal and molecular structure of the hexaazamacrocycle C24H14N6 has been determined from X-ray diffractometer data. The crystals are monoclinic, space groupP21/c witha = 4.416(1),b = 9.972(4),c = 18.955(12) Å, β = 95.48(4) °, andZ = 2. The structure was derived from 536 reflections using direct and Fourier methods and was refined by least squares toR = 0.038. The polar molecules form stacks along thea axis with an inclination of 68 ° and an interplanar distance of 3.32 Å. The size of the central hole of the molecule is defined by the diagonal distances N(2) ⋯ N(2′) = 3.681(10) and N(3) ⋯ N(3′) = 3.771(9) Å of theo-phenanthroline nitrogens. This is too small to accommodate Pd2+ or Pt2+ in the hole.
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Endres, H., Hunziker, M. Crystal and molecular structure of a hexaazamacrocycle. Journal of Crystal and Molecular Structure 9, 77–85 (1979). https://doi.org/10.1007/BF01387560
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DOI: https://doi.org/10.1007/BF01387560