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2,2'-双{8-[(苄基氨基)-亚甲基]-1,6-二羟基-5-异丙基-3-甲基萘并-7(8H)-酮}

2,2'-Bis{8-[(benzyl-amino)-methyl-idene]-1,6-dihy-droxy-5-isopropyl-3-methyl-naphthalen-7(8H)-one}.

作者信息

Hakberdiev Shukhrat M, Talipov Samat A, Dalimov Davranbek N, Ibragimov Bakhtiyar T

机构信息

National University of Uzbekistan, Faculty of Chemistry, Vuzgorodok, Tashkent 100095, Uzbekistan.

Institute of Bioorganic Chemistry, Mirzo-Ulugbek St. 83, Tashkent 100125, Uzbekistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 9;69(Pt 11):o1626-7. doi: 10.1107/S1600536813027281.

DOI:10.1107/S1600536813027281
PMID:24454075
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3884299/
Abstract

The asymmetric unit of the title compound, C44H44N2O6, contains two independent mol-ecules with similar conformations. The di-hydro-naphthalene ring systems are approximately planar [maximum deviations = 0.036 (2), 0.128 (2), 0.0.24 (2) and 0.075 (2) Å]. The dihedral angle between two di-hydro-naphthalene ring systems is 83.37 (4)° in one mol-ecule and 88.99 (4)° in the other. The carbonyl O atom is linked with the adjacent hy-droxy and imino groups via intra-molecular O-H⋯O and N-H⋯O hydrogen bonds. In the crystal, mol-ecules are linked through O-H⋯O hydrogen bonds into layers parallel to (001), and adjacent layers are further stacked by π-π inter-actions between di-hydro-naphthalene and phenyl rings into a three-dimensional supra-molecular architecture. In the crystal, one of the isopropyl groups is disordered over two positions with an occupancy ratio of 0.684 (8):0.316 (8).

摘要

标题化合物C44H44N2O6的不对称单元包含两个构象相似的独立分子。二氢萘环系近似平面 [最大偏差 = 0.036 (2)、0.128 (2)、0.0.24 (2) 和0.075 (2) Å]。两个二氢萘环系之间的二面角在一个分子中为83.37 (4)°,在另一个分子中为88.99 (4)°。羰基O原子通过分子内O-H⋯O和N-H⋯O氢键与相邻的羟基和亚氨基相连。在晶体中,分子通过O-H⋯O氢键连接成平行于(001)的层,相邻层通过二氢萘环与苯环之间的π-π相互作用进一步堆积成三维超分子结构。在晶体中,其中一个异丙基在两个位置上无序,占有率为0.684 (8):0.316 (8)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2d/3884299/f44dc2968a0c/e-69-o1626-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2d/3884299/9ca7c0c01b53/e-69-o1626-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2d/3884299/f44dc2968a0c/e-69-o1626-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2d/3884299/9ca7c0c01b53/e-69-o1626-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e2d/3884299/f44dc2968a0c/e-69-o1626-fig2.jpg

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