Journal of Chemical Crystallography

, Volume 26, Issue 6, pp 399–402 | Cite as

Heterocyclic tautomerism. XI. Structures of 5,5′-bitetrazole and 1-methyl-5-(2′-pyridyl)tetrazole at 130 K

  • Peter J. Steel
Article
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Abstract

The X-ray crystal structures of 5,5′-bitetrazole and 1-methyl-5-(2′-pyridyl)tetrazole at 130 K are described. 5,5′-Bitetrazole exists as the 1 H, 1'H-tautomer and packs in chains held together by pairs of intermolecular hydrogen bonds. It crystallizes in the monoclinic space group P21/n witha=4.945(1),b=6.367(1),c=8.491(1) Å and β=99.233(7)o. In 1-methyl-5-(2′-pyridyl)tetrazole the two heterocyclic rings are nearly coplanar and the molecular packing is controlled by intermolecular π−π interactions. It crystallizes in the triclinic space group P1 witha=6.667(1),b=7.135(1),c=9.202(1)Å, α=89.59(1), β=69.08(1), and γ=66.62(1)o.

Key words

Tetrazoles tautomerism hydrogen bonds chelating ligands 
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Copyright information

© Plenum Publishing Corporation 1996

Authors and Affiliations

  • Peter J. Steel
    • 1
  1. 1.Chemistry DepartmentUniversity of CanterburyChristchurchNew Zealand

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