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11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
2-Chloro-N-methyl-N-phenyl-acetamide.
Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
Summary
This study examines the molecular structure of C(9)H(10)ClNO, revealing near coplanarity of non-hydrogen atoms. Intermolecular forces, specifically C-H⋯O interactions, contribute to crystal lattice stability.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
- The specific compound C(9)H(10)ClNO has not been extensively studied in terms of its solid-state structure.
Purpose of the Study:
- To elucidate the crystal structure of C(9)H(10)ClNO.
- To analyze the molecular geometry and intermolecular forces governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of atomic coordinates and bond lengths/angles provided geometric insights.
- Intermolecular interactions were identified using geometric criteria.
Main Results:
- The non-hydrogen atoms, excluding the phenyl group, were found to be nearly coplanar with a root-mean-square deviation of 0.1015 Å.
- A significant dihedral angle of 87.07° was observed between the near-planar fragment and the benzene ring.
- Weak intermolecular C-H⋯O interactions were identified as key stabilizing forces in the crystal lattice.
Conclusions:
- The crystal structure of C(9)H(10)ClNO is characterized by a near-planar arrangement of specific atoms and a near-perpendicular orientation of the phenyl ring.
- Intermolecular C-H⋯O interactions play a vital role in the observed crystal packing, influencing the compound's solid-state properties.
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