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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
(R)-2-Cyano-N-(1-phenyl-eth-yl)acetamide
Mohan Kumar1, B S Madhukar, M A Sridhar
1Department of Studies in Physics, Manasagangotri, University of Mysore, Mysore 570 006, India.
Summary
The crystal structure of a novel organic compound (C11H11N2O) reveals a significant dihedral angle between its acetamide and benzene groups. Molecules self-assemble into chains via hydrogen bonding within the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal engineering utilizes intermolecular interactions, such as hydrogen bonds, to design materials with specific structures and functions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C11H12N2O.
- To investigate the intermolecular interactions governing the self-assembly of molecules in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts (hydrogen bonds) was performed.
Main Results:
- The dihedral angle between the acetamide group and the benzene ring was determined to be 68.7(1)°.
- N-H⋯O and weak C-H⋯O hydrogen bonds were identified as the primary forces linking molecules.
- These interactions result in the formation of one-dimensional chains along the a-axis of the crystal.
Conclusions:
- The crystal structure of C11H12N2O is characterized by a specific orientation of the acetamide group relative to the benzene ring.
- Hydrogen bonding plays a critical role in organizing these molecules into extended chain structures.
- This structural information provides a foundation for further studies on the compound's physical and chemical properties.
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