[1,2a]苯并咪唑-2-基脒的合成、光谱表征和 X 射线结构。
Synthesis, spectroscopic characterization and X-ray structure of [1,2a]benzimidazol-2-yl amidine.
机构信息
Laboratory of Physics of Lamellaires Materials and Hybrids Nanomaterials, University of Carthage, Faculty of Science of Bizerte, Zarzouna 7021, Bizerte, Tunisia.
出版信息
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Sep;79(5):1856-9. doi: 10.1016/j.saa.2011.05.075. Epub 2011 May 31.
[1,2a]Benzimidazol-2-yl amidine was synthesized by adding cyclopentanamine to iminoester in ethanol. The structure of amidine 1 was characterized by IR, 1H NMR, 1H-1H NOESY, 13C NMR, DEPT, XHCOR spectra, thermogravimetric analysis (TGA), differential thermal analysis (DTA), differential scanning calorimetry thermograms (DSC), elementary analysis as well as by X-ray diffraction. The single crystals suitable for X-ray measurement were obtained by recrystallization at room temperature. The amidine group of a model was found to have Z configuration in the crystal. This compound crystallizes in a P2(1)/n monoclinic unit cell with parameters a=12.679(2) Å, b=8.468(3) Å, c=13.108(2) Å, β=96.538(2)°, V=1398.2 Å3 and Z=4.
[1,2a] 通过向亚氨基酯中添加环戊胺，合成了苯并咪唑-2-基脒。脒 1 的结构通过红外光谱（IR）、1H 核磁共振（1H NMR）、1H-1H 同核相关（1H-1H NOESY）、13C 核磁共振（13C NMR）、去偶（DEPT）、异核相关（XHCOR）谱、热重分析（TGA）、差示热分析（DTA）、差示扫描量热法（DSC）、元素分析以及 X 射线衍射进行了表征。通过在室温下重结晶获得了适合 X 射线测量的单晶。在晶体中，模型的脒基被发现具有 Z 构型。该化合物在 P2(1)/n 单斜晶胞中结晶，参数为 a=12.679(2) Å, b=8.468(3) Å, c=13.108(2) Å, β=96.538(2)°，V=1398.2 Å3，Z=4。
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