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1,2,4,5-四氟-3,6-二碘苯-2,3-双-(吡啶-2-基)吡嗪(1/1)

1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-2,3-bis-(pyridin-2-yl)pyrazine (1/1).

作者信息

Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2885. doi: 10.1107/S1600536810041668.

DOI:10.1107/S1600536810041668
PMID:21589066
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009248/
Abstract

The components of the title 1:1 co-crystal, C(14)H(10)N(4)·C(6)F(4)I(2), are connected via an N⋯I [2.959 (4) Å] halogen bond, in which the N atom is part of the relatively electron-rich pyrazine ring. The C(6)F(4)I(2) mol-ecule is almost planar [r.m.s. deviation = 0.038 Å] but there are significant twists in the pyrazine derivative, as seen in the dihedral angles [31.3 (2) and 54.6 (2)°] formed between the pendant pyridyl rings and the central pyrazine ring. The bimolecular aggregates are sustained in the crystal by C-H⋯F and π-π inter-actions [ring centroid(pyrid-yl)-ring centroid(benzene) = 3.678 (3) Å].

摘要

标题为1:1共晶体C(14)H(10)N(4)·C(6)F(4)I(2)的组分通过N⋯I [2.959 (4) Å]卤键相连，其中N原子是相对富电子的吡嗪环的一部分。C(6)F(4)I(2)分子几乎呈平面状[r.m.s.偏差 = 0.038 Å]，但吡嗪衍生物存在明显扭曲，如在侧链吡啶环与中心吡嗪环之间形成的二面角[31.3 (2)和54.6 (2)°]所示。双分子聚集体在晶体中通过C-H⋯F和π-π相互作用得以维持[环心(吡啶基)-环心(苯)= 3.678 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edf1/3009248/25b13477530e/e-66-o2885-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edf1/3009248/89800fe5ac5f/e-66-o2885-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edf1/3009248/a05fea325199/e-66-o2885-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edf1/3009248/25b13477530e/e-66-o2885-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edf1/3009248/89800fe5ac5f/e-66-o2885-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edf1/3009248/a05fea325199/e-66-o2885-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edf1/3009248/25b13477530e/e-66-o2885-fig3.jpg

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