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首页> 外文期刊>Journal of chemical crystallography >Structures of Three New (Phenylsulfonyl) Indole Derivatives
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Structures of Three New (Phenylsulfonyl) Indole Derivatives

机译：三种新的（苯磺酰基）吲哚衍生物的结构

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Three new 1-(phenylsulfonyl) indole derivatives, 3-acetyl-2-ethyl-1-(phenylsulfonyl) indole, (I), 2-benzyl-1( phenylsulfonyl) indole, (II), and 3-trimethylsilylethynyl-1( phenylsulfonyl) indole, (III), have been synthesized and their crystal structures determined by single crystal X-ray crystallography. (I), C18H17NO3S, is triclinic with space group P-1 and cell constants: a = 8.6129(2) angstrom, b = 8.8366(2) angstrom, c = 11.0108(2) angstrom, alpha = 72.7920(1)degrees, beta = 75.0120(1)degrees, c = 77.2550(1)degrees, V = 763.79(3) angstrom(3) and Z = 2. (II), C21H17NO2S, is monoclinic with space group P2(1) and cell constants: a = 10.8355(18) angstrom, b = 10.6987(19) angstrom, c = 14.472(3) angstrom, b = 75.0120(1), V = 1675.2(5) angstrom 3 and Z = 4. (III), C19H19NO2SSi, is monoclinic with, space group P2(1)/c and cell constants: a = 12.9596(1) angstrom, b = 10.543(3) angstrom, c = 13.543(2) angstrom, beta = 93.58 degrees, V = 1846.8(6)angstrom(3) and Z = 4. All three have the same (phenylsulfonyl) indole skeleton with different ligands attached to the 2- and 3-sites of the indole ring. The angle between the mean planes of the indole and benzyl groups is 76.9(6)degrees (I), 82.9(3)degrees (II), 89.6(2)degrees (III) and between the sulfonyl group with the indole and benzyl rings is 61.2(9)degrees (I), 59.0((5)degrees (II), 51.5(6)degrees, 42.5(8)degrees (III) and 51.5(6)degrees (I), 44.3(8)degrees (II), 47.2(8)degrees (III), respectively. In addition to the ligand substitutions, weak intermolecular C-H center dot center dot center dot O hydrogen bond interactions and p stacking interactions between the p orbitals of nearby indole and phenyl rings influence these twist angles.
机译：三个新的1-（苯磺酰基）吲哚衍生物，3-乙酰基-2-乙基-1-（苯磺酰基）吲哚，（I），2-苄基-1（苯磺酰基）吲哚，（II）和3-三甲基甲硅烷基乙炔基-1（已经合成了苯磺酰基）吲哚（III），并通过单晶X射线晶体学确定了它们的晶体结构。 （I）C18H17NO3S具有空间群P-1和单元常数的三斜度：a = 8.6129（2）埃，b = 8.8366（2）埃，c = 11.0108（2）埃，alpha = 72.7920（1）度， beta = 75.0120（1）度，c = 77.2550（1）度，V = 763.79（3）埃（3）和Z =2。（II）C21H17NO2S是单斜晶系，具有空间群P2（1）/ n和单元常数：a = 10.8355（18）埃，b = 10.6987（19）埃，c = 14.472（3）埃，b = 75.0120（1），V = 1675.2（5）埃3和Z = 4.（III）， C19H19NO2SSi是单斜晶系，具有空间组P2（1）/ c和单元常数：a = 12.9596（1）埃，b = 10.543（3）埃，c = 13.543（2）埃，beta = 93.58度，V = 1846.8 （6）埃（3）和Z =4。这三个分子均具有相同的（苯磺酰基）吲哚骨架，且吲哚环的2和3位连接有不同的配体。吲哚和苄基的平均平面之间的夹角为76.9（6）度（I），82.9（3）度（II），89.6（2）度（III）以及磺酰基与吲哚和苄基环之间的夹角是61.2（9）度（I），59.0（（5）度（II），51.5（6）度，42.5（8）度（III）和51.5（6）度（I），44.3（8）度（ II），47.2（8）度（III），除了配体取代外，弱分子间CH中心点中心点中心点中心点O氢键相互作用以及附近吲哚和苯环的p轨道之间的p堆积相互作用也影响了这些作用扭转角。

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