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Updated: Jun 1, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
2-Methyl-amino-5-nitro-benzoic acid.
Summary
This study details the crystal structure of a novel organic compound, C(8)H(8)N(2)O(4). It reveals intricate hydrogen bonding patterns, including intra-molecular bonds forming S(6) rings and inter-molecular bonds creating infinite sheets.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Understanding molecular interactions is crucial in chemistry.
- Crystal engineering relies on predicting and controlling intermolecular forces.
- Hydrogen bonding plays a key role in the assembly of crystalline solids.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(8)H(8)N(2)O(4).
- To investigate the hydrogen bonding network within the crystal lattice.
- To characterize the supramolecular architecture formed by the compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bond donors and acceptors.
- Topological analysis of the hydrogen bond network.
Main Results:
- The compound C(8)H(8)N(2)O(4) exhibits a nearly planar molecular conformation.
- An intra-molecular hydrogen bond forms a six-membered S(6) ring.
- Inversion dimers and inter-molecular hydrogen bonds link molecules into infinite sheets parallel to the (102) plane.
Conclusions:
- The crystal structure is stabilized by a combination of intra-molecular and inter-molecular hydrogen bonds.
- The observed hydrogen bonding pattern dictates the formation of a 2D supramolecular network.
- This detailed structural analysis provides insights into the solid-state behavior of this compound.
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