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X-ray mapping in heterocyclic design: XIV. Tricyclic heterocycles based on 2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Authors:O S Mazina  V B Rybakov  V V Chernyshev  E V Babaev  L A Aslanov
Institution:(1) Moscow State University, Vorob’evy gory, Moscow, 119992, Russia
Abstract:The structures of four compounds are studied using single-crystal X-ray diffraction: 1-2-(4-chlorophenyl)-2-oxoethyl]-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile a = 4.908(4) Å, b = 11.644(10) Å, c = 13.587(2) Å, β = 94.31(5)°, Z = 2, space group P21]; 2-2-(4-chlorophenyl)-2-oxoethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile a = 7.6142(8) Å, b = 14.778(2) Å, c = 14.132(2) Å, β = 100.38(1)°, Z = 4, space group P21/c]; 4-(aminocarbonyl)-2-(chlorophenyl)-6,7,8,9-tetrahydro1.3]oxazolo3,2-a]quinolin-3-ium per-chlorate a = 5.589(7) Å, b = 24.724(15) Å, c = 13.727(5) Å, β = 97.66(9)°, Z = 4, space group P21/n]; and (3-amino-5,6,7,8-tetrahydrofuro2,3-b]quinolin-2-yl)-(4-chlorophenyl) methanone a = 7.150(2) Å, b = 7.4288(10) Å, c = 15.314(3) Å, α = 98.030(10)°, β = 99.21(2)°, γ = 105.34(2)°, Z = 2, space group \(P\bar 1\)]. The structures are solved by direct methods and refined by the full-matrix least-squares procedure in the anisotropic approximation to R = 0.0728, 0.0439, 0.1228, and 0.0541, respectively. The structure of 1-(4-chlorophenyl)-4-piperidin-1-yl-8,9-dihydro-7H-pyrrolo3.2.1-ij]quinoline-5-carboxamide a = 23.9895(9) Å, b = 5.1557(3) Å, c = 17.0959(9) Å, β = 106.43°, Z = 4, space group P 1/c] is investigated by X-ray powder diffraction. This structure is solved using the grid search procedure and refined by the Rietveld method to R wp = 0.0773, R exp = 0.0540, R p = 0.0585, R b = 0.1107, and χ 2 = 1.78.
Keywords:
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