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Study of weak interactions in (4-chlorophenyl)-(4-fluorophenyl)-(4-pyridyl) methanol and bis-(4-fluorophenyl)-(4-pyridyl) methanol
Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2002-11-01 , DOI: 10.1016/s0022-2860(02)00344-7
A.R Choudhury , U.K Urs , P.S Smith , R Goddard , J.A.K Howard , T.N Guru Row

As a part of our investigations on weak interactions involving organic fluorine, we have analyzed two representative compounds, (4-chlorophenyl)-(4-fluorophenyl)-(4-pyridyl) methanol and bis-(4-fluorophenyl)-(4-pyridyl) methanol. In these structures the molecules are linked by strong O‐ H· · ·N hydrogen bonds to form antiparallel chains along the b axis. In addition, C‐F·· ·p interactions are observed as a consequence of the fluorine atom being flanked by two phenyl rings of the neighboring molecules. The first structure also has a significantly short intermolecular Cl· · ·Cl interaction [type I, Cl· · ·Cl ¼ 3.4213(9) A ˚ , /C‐ Cl· · ·Cl 0 ¼ 127.20(8)8] while the second structure though analogous to the first, does not display F· · ·F interaction. The packing modes are rationalized in terms of intermolecular interactions in comparison with the reported structure of diphenyl (4pyridyl) methanol. q 2002 Elsevier Science B.V. All rights reserved.

中文翻译:

(4-氯苯基)-(4-氟苯基)-(4-吡啶基)甲醇和双-(4-氟苯基)-(4-吡啶基)甲醇中弱相互作用的研究

作为我们对涉及有机氟的弱相互作用研究的一部分,我们分析了两种代表性化合物,(4-氯苯基)-(4-氟苯基)-(4-吡啶基)甲醇和双-(4-氟苯基)-(4-吡啶基)甲醇。在这些结构中,分子通过强 O-H···N 氢键连接,形成沿 b 轴的反平行链。此外,由于氟原子被相邻分子的两个苯环侧接,因此观察到 C-F···p 相互作用。第一个结构也具有显着短的分子间 Cl···Cl 相互作用 [I 型,Cl···Cl ¼ 3.4213(9) A ˚ , /C-Cl···Cl 0 ¼ 127.20(8)8] 而第二个结构虽然类似于第一个,但不显示 F···F 相互作用。与报道的二苯基(4吡啶基)甲醇的结构相比,填料模式在分子间相互作用方面得到了合理化。q 2002 Elsevier Science BV 版权所有。
更新日期:2002-11-01
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