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25,27-双-[(甲氧基羰基)-甲氧基]-26,28-二丙氧基杯[4]芳烃的部分锥形构象体

Partial cone conformer of 25,27-bis-[(methoxy-carbonyl)-meth-oxy]-26,28-dipropoxycalix[4]arene.

作者信息

Zhang Guo-Zhi, Zhao Mei, Zhang Xiao-Ling, Ma Jian-Ping, Guo Dian-Shun

机构信息

Department of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 14;64(Pt 4):o712. doi: 10.1107/S1600536808006843.

Abstract

Mol-ecules of the title compound, C(40)H(44)O(8), adopt a partial cone conformation. The dihedral angles between the planes of the aromatic rings and the mean plane through the methyl-ene C atoms bridging the aromatic rings are 35.74 (7), 85.86 (5), 87.77 (4) and 89.95 (5)°. Two opposite aryl rings are approximately parallel to each other; the others are at an inter-planar angle of 52.41 (6)°. Intra- and inter-molecular C-H⋯O hydrogen bonds stabilize the mol-ecular conformation and the crystal packing. Two C atoms of one propoxy chain are disordered over two positions; the site occupancy factors are ca 0.66 and 0.34.

摘要

标题化合物C(40)H(44)O(8)的分子呈部分锥状构象。芳香环平面与通过桥接芳香环的亚甲基C原子的平均平面之间的二面角分别为35.74 (7)°、85.86 (5)°、87.77 (4)°和89.95 (5)°。两个相对的芳环彼此大致平行;其他芳环之间的面间角为52.41 (6)°。分子内和分子间的C—H⋯O氢键稳定了分子构象和晶体堆积。一个丙氧基链的两个C原子在两个位置上无序;位点占有率因子约为0.66和0.34。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/22c6/2960911/263680378545/e-64-0o712-fig1.jpg

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