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吡嗪并[2,3 - b]吲哚嗪 - 10 - 腈

Pyrazino[2,3-b]indolizine-10-carbonitrile.

作者信息

Stefańska Anita, Zarzeczańska Dorota, Ossowski Tadeusz, Sikorski Artur

机构信息

University of Gdańsk, Faculty of Chemistry, Sobieskiego 18/19, 80-952 Gdańsk, Poland.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 14;65(Pt 4):o772-3. doi: 10.1107/S1600536809008939.

DOI:10.1107/S1600536809008939
PMID:21582499
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969041/
Abstract

In the crystal structure of the title compound, C(11)H(6)N(4), neighbouring mol-ecules are linked into inversion dimers through pairs of weak C-H⋯N hydrogen bonds, forming an R(2) (2)(10) ring motif. The dimers forming this motif are further linked by π-π inter-actions. With respective average deviations from planarity of 0.004 (2) and 0.004 (1) Å, the pyrazino[2,3-β]indolizine and cyano fragment are oriented at 0.8 (1)° to each other. The mean planes of the pyrazino[2,3-b]indolizine skeleton either lie parallel or are inclined at an angle of 28.7 (2)° in the crystal.

摘要

在标题化合物C(11)H(6)N(4)的晶体结构中,相邻分子通过成对的弱C-H⋯N氢键连接成反向二聚体,形成R(2) (2)(10)环 motif。形成此motif的二聚体通过π-π相互作用进一步连接。吡嗪并[2,3-β]中氮茚和氰基片段的平均平面偏离度分别为0.004 (2) 和0.004 (1) Å,它们相互间的夹角为0.8 (1)°。在晶体中,吡嗪并[2,3-b]中氮茚骨架的平均平面要么平行,要么倾斜28.7 (2)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b5f9/2969041/d650fd9b937e/e-65-0o772-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b5f9/2969041/2d904d3b63bf/e-65-0o772-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b5f9/2969041/d650fd9b937e/e-65-0o772-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b5f9/2969041/2d904d3b63bf/e-65-0o772-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b5f9/2969041/d650fd9b937e/e-65-0o772-fig2.jpg

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