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Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase

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Yosef Al Jasem, Bassam Al Hindawi, Thies Thiemann

Acta Crystallographica. Section E, Structure Reports Online

|September 13, 2012

Summary

This summary is machine-generated.

This study reveals an intramolecular hydrogen bond in a novel molecule, C(10)H(13)NO(2), influencing crystal packing. The molecule forms hydrogen-bonded pairs and columns, creating a 3D network with specific layer arrangements.

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Area of Science:

Crystallography and Molecular Structure
Supramolecular Chemistry

Background:

Understanding intermolecular forces is crucial for predicting material properties.
Hydrogen bonding plays a significant role in molecular self-assembly and crystal engineering.

Purpose of the Study:

To elucidate the crystal structure and intermolecular interactions of the molecule C(10)H(13)NO(2).
To investigate the role of intramolecular and intermolecular hydrogen bonds in the compound's solid-state organization.

Main Methods:

Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
Analysis of hydrogen bonding (N-H⋯O, C-H⋯O) and other non-covalent interactions (C-H⋯C).

Main Results:

An intramolecular N-H⋯O hydrogen bond was identified between the amide and propoxy groups.
Molecules form hydrogen-bonded pairs, which further assemble into two types of columns along the a-axis.
A three-dimensional network is formed by these pairs, organized into specific crystallographic layers (-122 and -1-22).

Conclusions:

The crystal structure is dictated by a combination of intramolecular hydrogen bonding and intermolecular N-H⋯O and C-H⋯O interactions.
The specific arrangement of molecules into layers and columns highlights the importance of hydrogen bonding in directing crystal packing.
The study provides insights into the supramolecular assembly of organic molecules based on hydrogen bonding motifs.