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首页> 外文期刊>Structural Chemistry & Crystallography Communication >Synthesis and Crystal Structure of 3-{4-[(4-(2-Oxo-2,3-dihydro-1H-benzimidazol- 1-yl)piperidin-1-yl)benzyl]}-2-phenylindole
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Synthesis and Crystal Structure of 3-{4-[(4-(2-Oxo-2,3-dihydro-1H-benzimidazol- 1-yl)piperidin-1-yl)benzyl]}-2-phenylindole

机译:3- {4-[(4-(2-Oxo-2,3-dihydro-1H-苯并咪唑-1-基)哌啶-1-基)苄基]}-2-苯基吲哚的合成及晶体结构

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摘要

The X-ray crystal structure of 3-{4-[(4-(2-oxo-2,3-dihydro-1H-benzimidazol- 1-yl)piperidin-1-yl)benzyl]}-2-phenylindole, a compound that showed high cytotoxic potential against various leukemia cell lines, was established. The 3D spatial determination confirmed the structure in the solid state. It crystallizes in the triclinic space group P-1 with cell parameters a=9.572(7) Å, b=11.091(2) Å, c=15.976(4) Å, α=92.53(2), β=105.45(3), γ=94.65(3), V=1625.6(13) Å3 and Z=2. The crystal structure was refined to final values of R1=0.0638 and wR2=0.1800. The crystal packing is controlled by intermolecular hydrogen bonding and C-H e??? interactions. In addition, these new data could be further used to clarify the mechanism of action, implicating the antiproliferative effect of this new synthetic indole derivative on human leukemic cells.
机译:3- {4-[(4-(2-氧代-2,3-二氢-1H-苯并咪唑-1-基)哌啶-1-基)苄基]}-2-苯基吲哚的X射线晶体结构建立了对多种白血病细胞系具有高细胞毒性潜能的化合物。 3D空间确定确定了固态结构。它在三斜晶空间群P-1中结晶,晶格参数为a = 9.572(7)Å,b = 11.091(2)Å,c = 15.976(4)Å,α= 92.53(2),β= 105.45(3) ,γ= 94.65(3),V = 1625.6(13)Å3和Z = 2。将晶体结构细化至R1 = 0.0638和wR2 = 0.1800的最终值。晶体堆积通过分子间氢键和C-H e控制。互动。此外,这些新数据可进一步用于阐明作用机理,暗示这种新的合成吲哚衍生物对人类白血病细胞的抗增殖作用。

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