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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
3-Nitrophenylacetic acid: a three-dimensional hydrogen-bonded framework structure containing substructures in zero,
Solange M S V Wardell1, James L Wardell, John N Low
1Instituto de Tecnologia em Fármacos, Far-Manguinhos, FIOCRUZ, 21041-250 Rio de Janeiro, RJ, Brazil.
Acta Crystallographica. Section C, Crystal Structure Communications
|November 8, 2006
Summary
This study reveals how nitrophenylacetic acid molecules form a 3D framework using various hydrogen bonds. Comparisons highlight structural differences among its isomers.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Nitrophenylacetic acids are organic compounds with potential applications in materials science.
- Understanding their solid-state structures is crucial for predicting and controlling material properties.
- Isomeric variations can lead to significant differences in molecular arrangement and intermolecular interactions.
Purpose of the Study:
- To elucidate the three-dimensional framework structure of a specific nitrophenylacetic acid compound (C8H7NO4).
- To identify and characterize the types of hydrogen bonds responsible for the observed crystal structure.
- To compare the supramolecular structures of three isomeric nitrophenylacetic acids.
Main Methods:
- Single crystal X-ray diffraction was used to determine the molecular and crystal structure of C8H7NO4.
- Analysis of intermolecular interactions, including hydrogen bonds (O-H...O, C-H...O(carbonyl), C-H...O(nitro)), was performed.
- Comparative analysis of crystallographic data for three isomeric nitrophenylacetic acids.
Main Results:
- The title compound, C8H7NO4, forms an extended three-dimensional framework structure.
- The framework is stabilized by a combination of O-H...O, C-H...O(carbonyl), and C-H...O(nitro) hydrogen bonds.
- Distinct supramolecular architectures were observed among the three isomeric nitrophenylacetic acids, influenced by the position of the nitro group.
Conclusions:
- The specific arrangement of hydrogen bonds dictates the formation of a robust 3D framework in nitrophenylacetic acid derivatives.
- Isomeric differences significantly impact the resulting supramolecular structures, highlighting the importance of regiochemistry in crystal engineering.
- These findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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