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

作者信息

Wang Ming-Liang, Dong Bao-Li, Li Yong-Hua

机构信息

School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 11;67(Pt 1):o94. doi: 10.1107/S160053681005018X.

Abstract

In the title compound, C(25)H(20)N(2)O, the pyrazoline ring is nearly planar [maximum atomic deviation = 0.0254 (17) Å]; but the anthracene ring system is distorted from a coplanar structure [maximum atomic deviation = 0.181 (3) Å], the dihedral angle between the outer benzene rings being 10.68 (13)°. The pyrazoline ring is almost perpendicular to the mean plane of the anthracene ring system [dihedral angle = 76.94 (8)°], but nearly coplanar with the phenyl ring [dihedral angle = 1.63 (7)°]. π-π stacking is observed between parallel benzene rings of adjacent anthracene units, the face-to-face distance being 3.27 (3) Å. Weak intra-molecular C-H⋯N hydrogen bonding also occurs.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bbb9/3050129/0ae614b9493c/e-67-00o94-fig1.jpg

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