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Synthesis and crystal structures of two potential gem-di(pyrazolyl)cycloalkane ligands, 1,1-di(pyrazol-1-yl)cyclohexane [C6H10(C3N2H3)2] and 1,1-di(pyrazol-1-yl)cyclopentane [C5H8(C3N2H3)2]

  • Melvyn Rowen Churchill
  • , David George Churchill
  • , My Hang Vo Huynh
  • , Kenneth J. Takeuchi
  • , Alison J. Distefano
  • , Donald L. Jameson
  • SUNY Buffalo
  • Columbia University
  • Gettysburg College

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The species 1,1-di(pyrazol-1-yl)cyclohexane, C12H16N4, crystallizes in the monoclinic space group P21/c with a = 8.340(2), b = 14.281(5), c = 10.153(3) Å, β= 106.86(2)°, and Z = 4. The cyclohexane moiety has the chair conformation. The congener, 1,1-di(pyrazol-1-yl) cyclopentane, C11H14N4, while not isomorphous, also crystallizes in space group P21/c with a = 14.350(2), b = 6.776(1), c = 11.043(2) Å, β= 100.68(1)°, and Z = 4. The cyclopentane ring has a conformation in which four carbon atoms are essentially coplanar, while the fifth (that with the two pyrazolyl substituents) lies 0.63 Å from this plane, resulting in a bend of 41.3° across the C(2)⋯C(5) vector. The hydrogen atoms in each structure were located directly and their coordinates refined.

Original languageEnglish
Pages (from-to)659-665
Number of pages7
JournalJournal of Chemical Crystallography
Volume29
Issue number6
DOIs
StatePublished - Jun 1999

Keywords

  • Bidentate ligand
  • Crystal structure
  • Pyrazolyl derivative
  • Substituted cyclohexane
  • Substituted cyclopentane

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