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4,4'-二氯-2,2'-[2,2-二甲基丙烷-1,3-二亚基双(亚氨甲基亚基)]二苯酚

4,4'-Dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

作者信息

Yeap Chin Sing, Kargar Hadi, Kia Reza, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o68-9. doi: 10.1107/S1600536808038014.

DOI:10.1107/S1600536808038014
PMID:21581707
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967979/
Abstract

The crystal of the title Schiff base compound, C(19)H(20)Cl(2)N(2)O(2), contains of two crystallographically independent mol-ecules with similar conformations. In each mol-ecule, two intramolecular O-H⋯N bonds generate S(6) motifs. The N atoms are also in close proximity to two H atoms of the dimethyl-propane groups, with H⋯N distances between 2.59 and 2.62 Å. The imine group is coplanar with the benzene ring. The dihedral angles between the benzene rings in the two independent mol-ecules are 58.20 (12) and 47.95 (12)°. The structure displays short inter-molecular Cl⋯Cl [3.3869 (11) Å] and Cl⋯O [3.175 (2)-3.204 (2) Å] inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances 3.6416 (13)-3.8705 (14) Å] inter-actions.

摘要

标题席夫碱化合物C(19)H(20)Cl(2)N(2)O(2)的晶体包含两个具有相似构象的晶体学独立分子。在每个分子中,两个分子内O-H⋯N键形成S(6) motif。N原子也与二甲基丙烷基团的两个H原子接近,H⋯N距离在2.59至2.62 Å之间。亚胺基团与苯环共面。两个独立分子中苯环之间的二面角分别为58.20 (12)°和47.95 (12)°。该结构显示出短的分子间Cl⋯Cl [3.3869 (11) Å]和Cl⋯O [3.175 (2)-3.204 (2) Å]相互作用。晶体结构通过弱的分子间C-H⋯O、C-H⋯π和π-π [质心-质心距离3.6416 (13)-3.8705 (14) Å]相互作用进一步稳定。

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