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N-（吡嗪-2-基）-1,8-萘啶-2-胺

N-(Pyrazin-2-yl)-1,8-naphthyridin-2-amine.

作者信息

Duan Yan-Shan, Wang Wen-Zhen, Wen Yuh-Sheng, Zhu Yu-Qin, Peng Shie-Ming

机构信息

School of Chemistry and Chemical Engineering, Xi'an Shiyou University, Xi'an 710065, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o349. doi: 10.1107/S160053681300319X. Epub 2013 Feb 6.

DOI:10.1107/S160053681300319X
PMID:23476541
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588492/
Abstract

There are two independent mol-ecules in the asymmetric unit of the title compound, C12H9N5, in which the C-N(amine)-C angles differ slightly [129.63 (11) and 132.02 (11)°]. In each independent mol-ecule, an intra-molecular C-H⋯N hydrogen bond stabilizes the mol-ecular structure, forming an S(6) ring motif. The independent mol-ecules are linked via an N-H⋯N hydrogen bond. Further N-H⋯N and C-H⋯N hydrogen bonds connect the mol-ecules into chains along c axis. Pairs of C-H⋯π inter-actions between the chains lead to sheets parallel to the b axis. These are linked by π-π inter-actions between the naphthyridine and pyrazine rings [centroid-centroid separations of 3.553 (8) Å] into a three-dimensional supra-molecular network.

摘要

标题化合物C₁₂H₉N₅的不对称单元中有两个独立分子，其中C-N（胺）-C角略有不同[129.63 (11) 和132.02 (11)°]。在每个独立分子中，分子内的C-H⋯N氢键使分子结构稳定，形成一个S(6)环模式。独立分子通过N-H⋯N氢键相连。进一步的N-H⋯N和C-H⋯N氢键将分子沿c轴连接成链。链之间的C-H⋯π相互作用对形成了平行于b轴的片层。这些片层通过萘啶环和吡嗪环之间的π-π相互作用[质心-质心间距为3.553 (8) Å]连接成三维超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/cd67cee050f6/e-69-0o349-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/f97a9179f516/e-69-0o349-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/8eb9a35d4386/e-69-0o349-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/de9b3a42006d/e-69-0o349-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/cd67cee050f6/e-69-0o349-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/f97a9179f516/e-69-0o349-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/8eb9a35d4386/e-69-0o349-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/de9b3a42006d/e-69-0o349-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9824/3588492/cd67cee050f6/e-69-0o349-fig4.jpg

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