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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
(E)-Ethyl N'-(4-bromo-benzyl-idene)hydrazinecarboxyl-ate
1Marine College, Zhejiang Institute of Communications, Hangzhou 311112, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a novel organic compound, revealing distinct molecular arrangements and hydrogen bonding. The findings contribute to understanding molecular assembly in crystalline solids.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties and reactivity.
- Crystal engineering aims to design materials with desired characteristics through controlled intermolecular interactions.
Purpose of the Study:
- To determine the crystal structure of the title compound C(10)H(11)BrN(2)O(2).
- To analyze the molecular conformation and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to elucidate the crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational insights.
- Identification of hydrogen bonding patterns revealed the supramolecular assembly.
Main Results:
- The title compound, C(10)H(11)BrN(2)O(2), crystallizes with two independent molecules in the asymmetric unit.
- Significant differences in dihedral angles (3.0° and 45.3°) between the benzene ring and the hydrazine carboxylic acid plane were observed.
- A one-dimensional network structure was formed through intermolecular N-H⋯O hydrogen bonds.
Conclusions:
- The crystal structure of C(10)H(11)BrN(2)O(2) exhibits conformational flexibility in its independent molecules.
- Intermolecular hydrogen bonding plays a key role in organizing these molecules into a 1D supramolecular chain.
- This structural information is valuable for the design of new organic materials.
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