二氯化双[2-(4-氨基苯基)-4,5-二氢-1H-咪唑-3-鎓]一水合物
Bis[2-(4-amino-phen-yl)-4,5-dihydro-1H-imidazol-3-ium] dichloride monohydrate.
作者信息
Molčanov Krešimir, Stolić Ivana, Kojić-Prodić Biserka, Bajić Miroslav
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3450-1. doi: 10.1107/S1600536811050070. Epub 2011 Nov 25.
The asymmetric unit of the title compound, 2C(9)H(12)N(3) (+)·2Cl(-)·H(2)O, comprises two mol-ecules, two chloride anions and one mol-ecule of crystal water. In the imidazolinium ring, the protonation contributes to delocalization of the positive charge over the two C-N bonds. Both chloride anions are acceptors of four hydrogen bonds in a flattened tetra-hedron environment. The donors are NH(2) groups, the NH groups of the imidazolinium rings and the water mol-ecule. These hydrogen bonds and N-H⋯O(H(2)O) hydrogen bonds form a three-dimensional network.
标题化合物2C₉H₁₂N₃⁺·2Cl⁻·H₂O的不对称单元包含两个分子、两个氯离子阴离子和一个结晶水分子。在咪唑啉鎓环中，质子化有助于正电荷在两个C-N键上离域。两个氯离子阴离子在扁平四面体环境中都是四个氢键的受体。供体是NH₂基团、咪唑啉鎓环的NH基团和水分子。这些氢键和N-H⋯O(H₂O)氢键形成三维网络。
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