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N-H…O, C-H… O hydrogen-bonded supramolecular frameworks in 4-fluoroanilinium and dicyclohexylaminium picrate salts
Structural Chemistry ( IF 2.1 ) Pub Date : 2019-12-17 , DOI: 10.1007/s11224-019-01471-1
Saminathan Kolandaivelu , Jagan Rajamoni , Sivakumar Kandasamy

The asymmetric unit of compound ( I ), 4-fluoroanilinium picrate, C 6 H 7 NF + .C 6 H 2 N 3 O 7 − contain one 4-fluoroanilinium cation and one picrate anion whereas in compound ( II ), dicyclohexylaminium picrate, C 12 H 22 N + .C 6 H 2 N 3 O 7 − the asymmetric unit contains two sets of dicyclohexylaminium cation and picrate anion due to conformational difference between the molecules. In ( I ), all three nitro groups of the picrate anion are positionally disordered over two sites refined to major and minor components. The molecular ions of ( I ), interlinked through N–H‧‧‧O and C–H‧‧‧O hydrogen bonds forming two-dimensional supramolecular sheet along (-1 0 1) plane. Whereas in ( II ), the symmetry-independent molecules labeled as A and B molecule form independent one-dimensional supramolecular tape extending along (1 1 0) and (1 0 0) direction. The supramolecular tapes are interlinked through C–H‧‧‧O interaction to form three-dimensional network in the crystalline solid in ( II ).

中文翻译:

NH…O、CH…O 氢键超分子骨架在 4-氟苯胺和苦味酸二环己胺盐中

化合物(I)的不对称单元,4-氟苯胺苦味酸,C 6 H 7 NF + .C 6 H 2 N 3 O 7 - 含有一个4-氟苯胺阳离子和一个苦味酸阴离子,而在化合物(II)中,苦味酸二环己胺, C 12 H 22 N + .C 6 H 2 N 3 O 7 - 由于分子之间的构象差异,不对称单元包含两组二环己基胺阳离子和苦味酸阴离子。在 (I) 中,苦味酸阴离子的所有三个硝基在两个位点上位置无序,细化为主要和次要成分。( I )的分子离子通过N-H‧‧‧O和C-H‧‧‧O氢键相互连接,沿(-1 0 1)平面形成二维超分子片。而在 (II) 中,标记为 A 和 B 分子的与对称性无关的分子形成沿 (1 1 0) 和 (1 0 0) 方向延伸的独立一维超分子带。
更新日期:2019-12-17
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