Arslan Hakan, Vanderveer Don, Demir Serpil, Ozdemir Ismail, Cetinkaya Bekir
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 24;65(Pt 1):o208-9. doi: 10.1107/S1600536808043250.
A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(-)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by π⋯π stacking inter-actions (face-face separation 3.441 Å) and C-H⋯Br and O-H⋯Br inter-actions. Intra- and intermolecular C-H⋯O inter-actions are also present. The C-N bond lengths for the compound [1.329 (3), 1.325 (3), 1.389 (3) and 1.391 (3) Å] are all shorter than the average single C-N bond length of 1.48 Å, thus showing varying degrees of double-bond character.
合成了一种新型的N-杂环卡宾衍生物C(28)H(33)N(2)O(3)(+)·Br(-)·H(2)O，并通过元素分析、(1)H和(13)C-NMR、红外光谱以及单晶X射线衍射研究对其进行了表征。标题化合物的离子通过π⋯π堆积相互作用（面对面间距3.441 Å）以及C-H⋯Br和O-H⋯Br相互作用相连。分子内和分子间的C-H⋯O相互作用也存在。该化合物的C-N键长[1.329(3)、1.325(3)、1.389(3) 和1.391(3) Å]均短于平均单C-N键长1.48 Å，因此显示出不同程度的双键特征。
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