3-[({2-[双-(2-羟基-苯氧基)氨基]-乙基}(2-羟基-3-苯氧基氨基)-甲基]-2-羟基-5-甲基苯甲醛的晶体结构。

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-21 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814024465
Alexandra S Fonseca, Adailton J Bortoluzzi
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引用次数: 0

摘要

非对称标题分子C32H34N2O5是基于四取代乙基烯二胺主链的。分子结构由三个羟基苯基和一个2-羟基-5-甲基苯甲醛基团与二胺单元的N原子相连。乙基烯二胺骨架呈规则的延伸构象,而苯酚臂的空间取向由氢键控制。在2-羟基-5-甲基苯甲醛基团中,在醇和醛功能之间观察到分子内S(6) O- h⋯O氢键,邻近的酚臂参与分子内S(6) O- h⋯N氢键。第三个酚基团分别参与相邻胺和酚臂之间的O- h⋯N和O- h⋯O分子内氢键的图集符号S(6)的分叉分子内氢键。最后,第四个酚基团作为分子内分叉氢键的受体,也作为分子间氢键的供体,将反转相关分子连接成具有r4(4)(8)环基序的二聚体。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Crystal structure of 3-[({2-[bis-(2-hy-droxy-benz-yl)amino]-eth-yl}(2-hy-droxy-benz-yl)amino)-meth-yl]-2-hydroxy-5-methyl-benzaldehyde.

The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group bonded to the N atoms of the di-amine unit. The ethyl-enedi-amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H⋯N hydrogen bond. The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H⋯N and O-H⋯O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs.

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审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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