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 language | English |
|---|---|
| Pages (from-to) | 659-665 |
| Number of pages | 7 |
| Journal | Journal of Chemical Crystallography |
| Volume | 29 |
| Issue number | 6 |
| DOIs | |
| State | Published - Jun 1999 |
Keywords
- Bidentate ligand
- Crystal structure
- Pyrazolyl derivative
- Substituted cyclohexane
- Substituted cyclopentane
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Dive into the research topics of '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]'. Together they form a unique fingerprint.Cite this
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