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N'-[(E)-(1-甲基-1H-吡咯-2-基)亚甲基]吡啶-4-碳酰肼

N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]pyridine-4-carbohydrazide.

作者信息

Hussain Abid, Tahir M Nawaz, Shafiq Zahid, Yaqub Muhammad, Mazhar Muhammad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1881. doi: 10.1107/S1600536810025341.

DOI:10.1107/S1600536810025341
PMID:21588075
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006824/
Abstract

In the title compound, C(12)H(12)N(4)O, the pyridine and pyrrole rings are inclined at an angle of 29.22 (8)° and an intra-molecular C-H⋯N inter-action geneates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming (010) C(7) chains. The chains are cross-linked by weak C-H⋯O inter-actions, which generate R(2) (2)(18) ring motifs within an infinite sheet. Finally, two C-H⋯π inter-actions are present, where the C-H groups are from the pyridine ring and π is the pyrrole ring.

摘要

在标题化合物C₁₂H₁₂N₄O中,吡啶环和吡咯环的夹角为29.22(8)°,分子内C—H⋯N相互作用形成一个S(6)环。在晶体中,分子通过N—H⋯N氢键相连,形成(010)C₇链。这些链通过弱C—H⋯O相互作用交联,在无限延伸的平面内形成R₂²(18)环模式。最后,存在两种C—H⋯π相互作用,其中C—H基团来自吡啶环,π为吡咯环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d66/3006824/bc9c3dfbd86d/e-66-o1881-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d66/3006824/63c51b375818/e-66-o1881-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d66/3006824/d0f1194655b6/e-66-o1881-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d66/3006824/bc9c3dfbd86d/e-66-o1881-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d66/3006824/63c51b375818/e-66-o1881-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d66/3006824/d0f1194655b6/e-66-o1881-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d66/3006824/bc9c3dfbd86d/e-66-o1881-fig3.jpg

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Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):e29. doi: 10.1107/S1600536810031090.

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