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首页> 外文期刊>Crystallography reports >X-ray mapping in heterocyclic design: XIV. Tricyclic heterocycles based on 2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
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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

机译：杂环设计中的X射线映射：XIV。基于2-氧-1,2,5,6,7,8-六氢喹啉-3-甲腈的三环杂环

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摘要

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) Angstrom, b = 11.644(10) Angstrom, c = 13.587(2) Angstrom, beta = 94.31(5)degrees, Z = 2, space group P2(1)]; 2-[2-(4-chlorophenyl)-2-oxoethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile [a = 7.6142(8) Angstrom, b = 14.778(2) Angstrom, c = 14.132(2) Angstrom, beta = 100.38(1)degrees, Z = 4, space group P2(1)/c]; 4-(aminocarbonyl)-2-(chlorophenyl)-6,7,8,9-tetrahydro[1.3]oxazolo[3,2-a]quinolin-3-ium perchlorate [a = 5.589(7) Angstrom, b = 24.724(15) Angstrom, c = 13.727(5) Angstrom, beta = 97.66(9)degrees, Z = 4, space group P2(1)]; and (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-(4-chlorophenyl) methanone [a = 7.150(2) Angstrom, b = 7.4288(10) Angstrom, c = 15.314(3) Angstrom, alpha. = 98.030(10)degrees, 99.21(2)degrees, gamma = 105.34(2)degrees, Z = 2, space group P (1) over bar]. 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-pyrrolo[3.2.1-ij]quinoline-5-carboxamide [a = 23.9895(9) Angstrom, b = 5.1557(3) Angstrom, c = 17.0959(9) Angstrom, 0 = 106.43degrees, 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 chi(2) = 1.78. (C) 2004 MAIK "Nauka/Interperiodica".
机译：使用单晶X射线衍射研究了四种化合物的结构：1- [2-（4-氯苯基）-2-氧代乙基] -2-氧代-1,2,5,6,7,8-六氢喹啉- 3-腈[a = 4.908（4）埃，b = 11.644（10）埃，c = 13.587（2）埃，beta = 94.31（5）度，Z = 2，空间群P2（1）]; 2- [2-（4-氯苯基）-2-氧乙氧基] -5,6,7,8-四氢喹啉-3-腈[a = 7.6142（8）埃，b = 14.778（2）埃，c = 14.132（ 2）埃，贝塔= 100.38（1）度，Z = 4，空间群P2（1）/ c]; 4-（氨基羰基）-2-（氯苯基）-6,7,8,9-四氢[1.3]恶唑并[3,2-a]喹啉-3-高氯酸钾[a = 5.589（7）埃，b = 24.724 （15）埃，c ＝ 13.727（5）埃，β＝ 97.66（9）度，Z ＝ 4，空间群P2（1）/ n];和（3-氨基-5,6,7,8-四氢呋喃[2,3-b]喹啉-2-基）-（4-氯苯基）甲酮[a = 7.150（2）埃，b = 7.4288（10）埃，c ＝ 15.314（3）埃，α。 = 98.030（10）度，99.21（2）度，γ= 105.34（2）度，Z = 2，在bar上有空间组P（1）。通过直接方法求解结构，并通过全矩阵最小二乘法在各向异性近似下分别将其精炼为R = 0.0728、0.0439、0.1228和0.0541。 1-（4-氯苯基）-4-哌啶-1-基-8,9-二氢-7H-吡咯并[3.2.1-ij]喹啉-5-甲酰胺的结构[a = 23.9895（9）埃，b通过X射线粉末衍射研究了＝ 5.1557（3）埃，c ＝ 17.0959（9）埃，0 ＝ 106.43度，Z ＝ 4，空间群P-1 / c]。使用网格搜索过程可解决此结构，并通过Rietveld方法精炼为R-wp = 0.0773，R-exp = 0.0540，R-p = 0.0585，R-b = 0.1107和chi（2）= 1.78。 （C）2004 MAIK“ Nauka / Interperiodica”。

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