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μ-双(5,7-二甲基-1,8-萘啶-2-基)二氮烯]双-[二氟硼酸硼(III)]

μ-Bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene]bis-[difluoridoboron(III).

作者信息

Li Xin-Sheng, Mo Juan, Yuan Li, Liu Jian-Hua, Zhang Su-Mei

机构信息

College of Animal Husbandry and Veterinary Studies, Henan Agricultural University, Zhengzhou, Henan Province 450002, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1673. doi: 10.1107/S1600536809022491.

DOI:10.1107/S1600536809022491
PMID:21582932
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969392/
Abstract

In the title compound, C(20)H(18)B(2)F(4)N(6), the bis-(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene molecule is bis-ected by a symmetry centre midway between the central N atoms of the diazene group. Each of the symmetry-related halves of the molecule binds to a B atom through an N,N'-bite. Two terminal F ions complete the distorted BN(2)F(2) tetra-hedral geometry around each B atom. The BF(2) plane is almost perpendicular to the boron-naphthyridine ring plane, with a dihedral angle of 87.8 (2)°. The main inter-actions in the crystal structure are some C-H⋯F hydrogen bonds and π-π contacts between 1,8-naphthyridine rings [centroid-centroid distance = 4.005 (1) Å].

摘要

在标题化合物C₂₀H₁₈B₂F₄N₆中，双（5,7 - 二甲基 - 1,8 - 萘啶 - 2 - 基）二氮烯分子被一个位于二氮烯基团中心N原子之间中点的对称中心平分。分子的每一对对称相关的半部分通过N,N' - 螯合与一个B原子结合。两个末端F离子在每个B原子周围形成扭曲的BN₂F₂四面体几何构型。BF₂平面几乎垂直于硼 - 萘啶环平面，二面角为87.8 (2)°。晶体结构中的主要相互作用是一些C - H⋯F氢键以及1,8 - 萘啶环之间的π - π接触[质心 - 质心距离 = 4.005 (1) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/842e/2969392/86d88d880df5/e-65-o1673-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/842e/2969392/7dbcc951929a/e-65-o1673-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/842e/2969392/86d88d880df5/e-65-o1673-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/842e/2969392/7dbcc951929a/e-65-o1673-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/842e/2969392/86d88d880df5/e-65-o1673-fig2.jpg

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