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1-乙酰基-5-二茂铁基-3-苯基-2-吡唑啉

1-Acetyl-5-ferrocenyl-3-phenyl-2-pyrazoline.

作者信息

Karadayı Nevzat, Turgut Cin Günseli, Demirel Seda, Cakıcı Abban, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):m127-8. doi: 10.1107/S1600536808043298.

DOI:10.1107/S1600536808043298
PMID:21581746
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968248/
Abstract

In the title compound, [Fe(C(5)H(5))(C(16)H(15)N(2)O)], the pyrazoline ring and the phenyl ring are nearly coplanar, making a dihedral angle of 6.54 (2)°, while the substituted cyclo-penta-dienyl ring is twisted out of the pyrazoline ring plane by 81.32 (1)°. The mol-ecules in the crystal structure are held together by weak C-H⋯O inter-molecular hydrogen bonds and two C-H⋯π inter-actions.

摘要

在标题化合物[Fe(C₅H₅)(C₁₆H₁₅N₂O)]中，吡唑啉环和苯环几乎共面，二面角为6.54 (2)°，而取代的环戊二烯基环相对于吡唑啉环平面扭转了81.32 (1)°。晶体结构中的分子通过弱的C-H⋯O分子间氢键和两种C-H⋯π相互作用结合在一起。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89b/2968248/3b3757ec5652/e-65-0m127-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89b/2968248/5a8d4531657a/e-65-0m127-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89b/2968248/3b3757ec5652/e-65-0m127-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89b/2968248/5a8d4531657a/e-65-0m127-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f89b/2968248/3b3757ec5652/e-65-0m127-fig2.jpg

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