Abstract
As part of a study into new Fentanyl-derived opioid compounds with potent analgesic activity and reduced side effects the starting material title compound, C14H21N3O (1), was synthesized and characterized by NMR spectroscopy and single-crystal X-ray diffraction. The crystal structure is monoclinic Cc with unit cell parameters a = 14.1480(3) Å, b = 14.1720(4) Å, c = 27.6701(7) Å, β = 96.956(1)°, α = γ = 90°. The compound has crystallized with four crystallographically unique molecules in the asymmetric unit; each molecule has a very similar conformation and an analysis of the structure shows that although all four unique molecules overlay very well there is no evidence of pseudo-symmetry which would relate the molecules in the higher symmetry space group C2/c. The crystal packing consists of two separate hydrogen bonded chains which are linked together to form a thick 2D structure in the ab plane.
Index Abstract
The compound N′-(1-benzylpiperidin-4-yl)acetohydrazide crystallizes with four crystallographically unique molecules in the asymmetric unit; each molecule has a very similar conformation but there is no evidence of pseudo-symmetry.
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The diffractometer was purchased with funding from NSF grant CHE-0741837.
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Nichol, G.S., Vardanyan, R. & Hruby, V.J. Synthesis and Crystallographic Study of N′-(1-benzylpiperidin-4-yl)acetohydrazide. J Chem Crystallogr 40, 961–964 (2010). https://doi.org/10.1007/s10870-010-9771-1
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DOI: https://doi.org/10.1007/s10870-010-9771-1