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Updated: Jun 1, 2026
11:04
Preparation of Enantiopure Non-Activated Aziridines and Synthesis of Biemamide B, D, and epiallo-Isomuscarine
Published on: June 13, 2022
(E)-Methyl N'-(2-furylmethyl-ene)-hydrazinecarboxyl-ate
Summary
This study details the crystal structure of a novel compound, C(7)H(8)N(2)O(3). Molecules exhibit a trans configuration and form chains via hydrogen bonds, revealing insights into molecular interactions and crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- The furan ring and hydrazinecarboxylate moieties are common structural motifs in medicinal chemistry and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(7)H(8)N(2)O(3).
- To investigate the molecular conformation, intermolecular interactions, and crystal packing of the compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular interactions (hydrogen bonds, van der Waals forces) was performed.
Main Results:
- The asymmetric unit contains two independent, nearly identical molecules of C(7)H(8)N(2)O(3).
- Both molecules adopt a trans configuration around the C=N bond.
- The hydrazinecarboxylate group is twisted relative to the furan ring by approximately 7-8 degrees.
- Molecules self-assemble into chains along the [010] direction through bifurcated N-H⋯(N,O) and N-H⋯O hydrogen bonds.
- Weak C-H⋯O interactions and a short O⋯C contact (2.896 Å) were also observed.
Conclusions:
- The crystal structure reveals specific molecular conformations and intermolecular interactions that dictate the compound's solid-state arrangement.
- The observed hydrogen bonding network plays a significant role in the formation of one-dimensional chains.
- These findings provide a structural basis for understanding the compound's properties and potential applications.
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