4-(3-碳水化合物-氧-亲泛酰胺)-2-羟基苯甲酸一水合物的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-15 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814024581

Muhammad Nawaz Tahir, Muhammad Naeem Ahmed, Arshad Farooq Butt, Hazoor Ahmad Shad

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引用次数: 1

摘要

在标题水合物C11H11NO6·H2O中，有机分子近似为平面(非h原子的均方根偏差= 0.129 Å)，分子内的O- h⋯O氢键闭合S(6)环。在晶体中，苯甲酸基团参与与水分子的O- h⋯O氢键，并接受来自另一个水分子的类似键。另一个-CO2H基团形成碳氧酸反转二聚体，从而形成r2(2)(8)环。这些键，以及N-H⋯O和C-H⋯O相互作用，形成了一个三维网络。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of 4-(3-carb-oxy-pro-pan-amido)-2-hy-droxy-benzoic acid mono-hydrate.

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Crystal structure of 4-(3-carb-oxy-pro-pan-amido)-2-hy-droxy-benzoic acid mono-hydrate.

In the title hydrate, C11H11NO6·H2O, the organic mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O-H⋯O hydrogen bond to the water mol-ecule and accepts a similar bond from another water mol-ecule. The other -CO2H group forms a carb-oxy-lic acid inversion dimer, thereby forming an R 2 (2)(8) loop. These bonds, along with N-H⋯O and C-H⋯O inter-actions, generate a three-dimensional network.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

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.