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首页> 外文期刊>Journal of chemical crystallography >Crystal structures and conformations of two new biisoquinoline derivatives
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Crystal structures and conformations of two new biisoquinoline derivatives

机译：两种新的双异喹啉衍生物的晶体结构和构象

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摘要

Crystal structural studies of two new biisoquinoline derivatives, a neutral compound C20H24N2 (3) and a salt C18H21NC2+.C10H14BrO4S-.H2O (4) are described and discussed. Compound 3 crystallizes in the monoclinic space group P2(1)/c, with a = 11.039(2), b = 7.791(2), c = 19.001(4) Angstrom, beta = 104.31(3)degrees, and Z = 4. Compound 4 crystallizes in the monoclinic space group P2(1), with a = 12.0021(3), b = 8.9189(2), c = 12: 8685(4) Angstrom, beta = 100.7600(10)degrees, and Z = 2. The absolute stereochemistry of 4 in the solid state has been determined. The biisoquinoline rings in both compounds adopt twist-boat conformations with significant deviations from ideal geometry. The two heterocyclic rings in each species are oriented so that they are not overlayed with each other and the phenyl rings are oppositely directed. The cations and the anions in 4 are linked together through an elaborate system of hydrogen bonding involving the water molecule.
机译：描述并讨论了两种新的双异喹啉衍生物，中性化合物C20H24N2（3）和盐C18H21NC2 + .C10H14BrO4S-.H2O（4）的晶体结构研究。化合物3在单斜空间群P2（1）/ c中结晶，a = 11.039（2），b = 7.791（2），c = 19.001（4）埃，beta = 104.31（3）度，Z = 4 。化合物4在单斜空间群P2（1）中结晶，其中a = 12.0021（3），b = 8.9189（2），c = 12：8685（4）埃，β= 100.7600（10）度和Z = 2.确定了固态4的绝对立体化学。两种化合物中的双异喹啉环均采用扭转舟构型，与理想几何形状有显着偏差。每个物种中的两个杂环均经过定向，因此它们彼此不重叠，并且苯环的方向相反。 4中的阳离子和阴离子通过复杂的氢键系统（包括水分子）连接在一起。

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