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Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
N-[2-(1,3-Benzodioxol-5-yl)eth-yl]-2-chloro-acetamide
1Henan Provincial Key Laboratory of Surface & Interface Science, Zhengzhou University of Light Industry, Zhengzhou 450002, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a compound, revealing two independent molecules and hydrogen bonds forming chains. The crystal structure analysis also identified inversion twinning.
Area of Science:
- Crystallography
- Solid-state chemistry
- Molecular structure analysis
Background:
- Understanding molecular arrangements in crystals is crucial for predicting material properties.
- Hydrogen bonding plays a significant role in the self-assembly of molecules in the solid state.
- Crystal twinning can influence macroscopic properties and requires careful crystallographic analysis.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(11)H(12)ClNO(3).
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
- To characterize the crystallographic features, including the presence of twinning.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular contacts and hydrogen bond networks was performed.
- Crystallographic data processing included twinning analysis.
Main Results:
- The title compound, C(11)H(12)ClNO(3), crystallizes with two independent molecules in the asymmetric unit.
- Intermolecular N-H⋯O hydrogen bonds were identified, linking molecules into two distinct hydrogen-bonded chains along the b-axis.
- The crystal sample exhibited characteristics of inversion twinning.
Conclusions:
- The crystal structure of C(11)H(12)ClNO(3) has been successfully determined, revealing its fundamental molecular packing.
- The identified hydrogen bonding network provides insights into the compound's solid-state behavior and potential for intermolecular interactions.
- The presence of inversion twinning is a key crystallographic feature that should be considered in further studies of this compound.
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