Crystal structure of bis-[dihydrido(3,5-dimethyl-1-pyrazolyl) (3,5-diphenyl-1-pyrazolyl)borate]zinc(II), [Zn{H2B(3,5-Me2Pz)(3,5-Ph2Pz)}2]

  • Mario V. Capparelli
  • Giuseppe Agrifoglio
Article
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Abstract

Crystals of the title compound are monoclinic,a=13.796(1),b=16.727(1),c=16.1937(8) Å,β=102.063(5)°,V=3654.3(4) Å3, space groupP21/c,Z=4. The crystal structure was solved by Patterson and Fourier methods and refined toR=0.033 for 3883 unique reflections withFo>3σ(Fo). The metal atom is tetrahedrically coordinated to two bidentate ligands with Zn-N distances and N-Zn-N angles in the range 1.982(2)–2.019(2) Å and 100.3(1)–119.5(1)°. The boat conformations of both BN4Zn chelate rings are unusually asymmetric (quasi-sofa), with the B atoms at 0.71 Å from the N4 mean plane, while the Zn atoms are at only 0.07 Å. Zn⋯B distances (3.784 and 3.794 Å) andv(B-H) stretching frequencies (2497 and 2400 cm−1) rule out agostic bonds. Overall the molecule displays approximate C2 symmetry. The temperature-dependent NMR spectra show no fluxional behavior in solution.

Keywords

Zinc Reflection Physical Chemistry Fourier Crystal Structure 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Copyright information

© Plenum Publishing Corporation 1992

Authors and Affiliations

  • Mario V. Capparelli
    • 1
  • Giuseppe Agrifoglio
    • 2
  1. 1.Escuela de Química, Facultad de CienciasUniversidad Central de VenezuelaCaracas 1041-A
  2. 2.Escuela Básica, Facultad de IngenieríaUniversidad Central de VenezuelaCaracas

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