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] |
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| Authors: | Melvyn Rowen Churchill David George Churchill My Hang Vo Huynh Kenneth J Takeuchi Alison J Distefano Donald L Jameson |
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| Institution: | (1) Department of Chemistry, North Campus, University at Buffalo, State University of New York, Buffalo, New York, 14260-3000;(2) Present address: Department of Chemistry, Columbia University, New York, New York, 10027;(3) Department of Chemistry, Gettysburg College, Gettysburg, Pennsylvania, 17325-1486 |
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| 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,  = 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, = 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. |
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| Keywords: | pyrazolyl derivative substituted cyclopentane substituted cyclohexane crystal structure bidentate ligand |
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