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6,6'-二乙氧基-2,2'-[丙烷-1,2-二基双(亚氨甲基亚基)]二苯酚的第二种三斜晶型多晶型物。

A second tricilinc polymorph of 6,6'-dieth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

作者信息

Fun Hoong-Kun, Kia Reza, Kargar Hadi, Jamshidvand Arezoo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 11;65(Pt 4):o722-3. doi: 10.1107/S1600536809008137.

Abstract

The title Schiff base compound, C(21)H(26)N(2)O(4), is a second triclinic polymorph of a previously reported room-temperature structure [Jia (2009 ▶). Acta Cryst. E65, o646]. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. Inter-molecular C-H⋯O inter-actions link neighbouring mol-ecules into dimers with an R(2) (2)(16) ring motif. The mean planes of the two benzene rings are almost perpendicular to each other, making a dihedral angle of 88.24 (5)°. An inter-esting feature of the crystal structure is the intermolecular short C⋯O [3.1878 (13) Å] contact which is shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.7414 (6) Å]. The structure has a stereogenic centre but the space group is centrosymmetric, so the mol-ecule exists as a racemate.

摘要

标题席夫碱化合物C(21)H(26)N(2)O(4)是先前报道的室温结构[Jia (2009 ▶). Acta Cryst. E65, o646]的第二种三斜多晶型物。强分子内O-H⋯N氢键生成S(6)环 motif。分子间C-H⋯O相互作用将相邻分子连接成具有R(2) (2)(16)环 motif的二聚体。两个苯环的平均平面几乎相互垂直,二面角为88.24 (5)°。晶体结构的一个有趣特征是分子间短C⋯O [3.1878 (13) Å]接触,其短于相关原子范德华半径之和。晶体结构通过分子间C-H⋯π和π-π相互作用[质心-质心距离 = 3.7414 (6) Å]进一步稳定。该结构有一个手性中心,但空间群是中心对称的,所以分子以外消旋体形式存在。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5885/2968989/62fbed21e175/e-65-0o722-fig1.jpg

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