Design and supramolecular structure of crystal associates of polyfluoroarylenediamines and 18-crown-6 (2:1)

详细信息    查看全文

• 作者：Tamara A. Vaganova^a ; Yurij V. Gatilov^a ; ^b ; Sergej E. Malykhin^c ; Denis P. Pishchur^d ; Yurii V. Larichev^b ; ^c ; Vladimir I. Rodionov^a ; Evgenij V. Malykhin^a ; ^{malykhin@nioch.nsc.ru}
• 关键词：Supramolecular associates ; Polyfluorinated arylenediamines ; 18-crown-6 ; X-ray diffraction analysis ; Crystal melting enthalpy ; vdW-DFT calculations
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：5 April 2017
• 年：2017
• 卷：1133
• 期：Complete
• 页码：122-134
• 全文大小：2506 K
• 卷排序：1133

文摘

Ability of polyfluoroarylenediamines to yield 2:1 co-crystals with 18-crown-6 was tested. CF3-Phenylenediamines form 2D assemblies connected via synthon Car–N–H … Ocr. π-Stacking (Naphth) and Car–N–H…N(Py) are the additional synthons in 1D assemblies. Less electron withdrawing polyfluoroarylenediamines yield only 1:1 co-crystals. Different co-crystallization behavior was rationalized using vdW-DFT calculations.