(4a S *,10a R *)-7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-one (original) (raw)
2007, Acta Crystallographica Section E Structure Reports Online
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The compound (4aS*,10aR*)-7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-one, a new totarolone isolated from Tetraclinis articulata wood, features a unique molecular structure consisting of an extended sheet of three fused rings with distinct conformations. Notably, the non-aromatic oxo-substituted ring adopts a screw boat conformation, while the central ring exhibits a half-chair conformation. The molecule's intermolecular interactions are mediated by O-H···O hydrogen bonds between carbonyl and hydroxyl groups, contributing to its stability and structural integrity.
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Crystal and molecular structure of N-2-pyridylethyl-N’-3-tolylthiourea
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The crystal and molecular structure of N-2-pyridylethyl-N'-3-tolylthiourea, 1, was determined. 1 crystallizes as triclinic, P-1, a = 9.024(2) Å, b = 9.718(3) Å, c = 9.765(4) Å, α = 102.26(3)°, β = 114.18(3)°, γ = 103.12(2)°, V = 714.4(4) Å 3 , Z = 2. Both thiourea N-H groups form intermolecular hydrogen bonds, N'H with the thione sulfur atom and the NH with the pyridine nitrogen. When compared with other N-2-pyridylethyl-N'-arylthioureas it is observed that the centro-symmetric N'H⋅⋅⋅S hydrogen bond is always present and the NH⋅⋅⋅N always H-bonds to the pyridine N atom but in some cases as an intra-molecular H-bond and in the other as an intermolecular Hbond. This difference may be due to variables introduced by the flexibility of the molecules, whose effects on the crystal packing can not be predicted.
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