1,3-双（吡啶-2-基）-1H-苯并咪唑-3-鎓四氟硼酸盐
1,3-Bis(pyridin-2-yl)-1H-benzimidazol-3-ium tetra-fluoridoborate.
作者信息
Grieco Gabriele, Blacque Olivier, Berke Heinz
机构信息
Institute of Inorganic Chemistry, University of Zürich, Winterthurerstrasse 190, 8057 Zürich, Switzerland.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2066-7. doi: 10.1107/S1600536811027942. Epub 2011 Jul 16.
The asymmetric unit of the title compound, C(17)H(13)N(4) (+)·BF(4) (-), contains one half of the benzimidazolium cation and one half of the tetra-fluoridoborate anion, with crystallographic mirror planes bis-ecting the mol-ecules. One F atom of the tetra-fluoridoborate is equally disordered about a crystallographic mirror plane. In the crystal, C-H⋯F inter-actions link the cations and anions into layers parallel to (100). The crystal packing is further stabilized by F⋯π contacts involving the tetra-fluoridoborate anions and the five-membered rings [F⋯centroid = 2.811 (2) Å].
标题化合物C(17)H(13)N(4) (+)·BF(4) (-)的不对称单元包含半个苯并咪唑阳离子和半个四氟硼酸根阴离子，晶体学镜面将分子平分。四氟硼酸根的一个氟原子在一个晶体学镜面上无序分布。在晶体中，C-H⋯F相互作用将阳离子和阴离子连接成平行于(100)的层。晶体堆积通过涉及四氟硼酸根阴离子和五元环的F⋯π接触进一步稳定[F⋯质心 = 2.811 (2) Å]。
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