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(E)-2-{2-叔丁基-6-[2-(4-羟基苯基)乙烯基]-1-丙基-1,4-二氢吡啶-4-亚基}茚满-1,3-二酮

(E)-2-{2-tert-Butyl-6-[2-(4-hy-droxy-phen-yl)ethen-yl]-1-propyl-1,4-dihydro-pyridin-4-yl-idene}indane-1,3-dione.

作者信息

Ha Kwang, Park Sae Byul, Kim Hyung Jin

机构信息

School of Applied Chemical Engineering, Chonnam National University, Gwangju 500-757, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 15;67(Pt 1):o141. doi: 10.1107/S1600536810051044.

Abstract

The title compound, C(29)H(29)NO(3), the nearly planar nine-membered indanedione ring [maximum deviation = 0.027 (2) Å] is located approximately parallel to its carrier pyridine ring [maximum deviation = 0.021 (2) Å] with a dihedral angle of 1.8 (1)° between the planes. However, because of steric hindrance, the benzene ring [maximum deviation = 0.006 (2) Å] is not parallel to the pyridine ring [dihedral angle = 37.29 (8)°]. The mol-ecules display numerous inter-molecular π-π inter-actions between the five- and six-membered rings, the shortest centroid-centroid distance being 3.796 (2) Å. There are inter- and intra-molecular O-H⋯O and C-H⋯O hydrogen bonds.

摘要

标题化合物C(29)H(29)NO(3)中,近乎平面的九元茚二酮环[最大偏差 = 0.027 (2) Å]与其载体吡啶环[最大偏差 = 0.021 (2) Å]近似平行,平面间二面角为1.8 (1)°。然而,由于空间位阻,苯环[最大偏差 = 0.006 (2) Å]与吡啶环不平行[二面角 = 37.29 (8)°]。分子在五元环和六元环之间展现出众多分子间π-π相互作用,最短质心间距为3.796 (2) Å。存在分子间和分子内的O-H⋯O和C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c404/3050276/b35c38e897d5/e-67-0o141-fig1.jpg

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