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1-[3-(蒽-9-基)-5-(吡啶-2-基)-4,5-二氢-1H-吡唑-1-基]乙酮

1-[3-(Anthracen-9-yl)-5-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

作者信息

Zhang Shi-Lu, Huang Kun, Qin Da-Bin

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1370. doi: 10.1107/S160053681201505X. Epub 2012 Apr 13.

DOI:10.1107/S160053681201505X
PMID:22590263
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344501/
Abstract

In the title compound, C(24)H(19)N(3)O, the pyrazoline ring adopts an envelope conformation with the C atom linking to the pyridine ring as the flap. The mean plane of the pyrazoline ring makes dihedral angles of 85.54 (4) and 81.66 (3)° with the pyridine ring and the anthracene ring system, respectively. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds. In addition, weak π-π inter-actions [centroid-centroid distances = 3.695 (3)-3.850 (7) Å] are observed.

摘要

在标题化合物C₂₄H₁₉N₃O中，吡唑啉环呈信封式构象，与吡啶环相连的C原子为折叶。吡唑啉环的平均平面与吡啶环和蒽环体系的二面角分别为85.54 (4)°和81.66 (3)°。在晶体中，分子通过C—H⋯O氢键相连。此外，还观察到弱的π-π相互作用[质心-质心距离 = 3.695 (3)-3.850 (7) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b70e/3344501/aa1d34d198d8/e-68-o1370-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b70e/3344501/ca872bdc1b32/e-68-o1370-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b70e/3344501/aa1d34d198d8/e-68-o1370-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b70e/3344501/ca872bdc1b32/e-68-o1370-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b70e/3344501/aa1d34d198d8/e-68-o1370-fig2.jpg

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本文引用的文献

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A short history of SHELX.
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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Ligand design in multimetallic architectures: six lessons learned.多金属结构中的配体设计：六点经验教训
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