Methyl 3-(2-furyl-methyl-idene)carbazate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Chemical Physics

Background:

• Understanding molecular arrangements in crystals is crucial for predicting material properties.
• Hydrogen bonding plays a key role in the self-assembly of molecules.
• The specific compound C(7)H(8)N(2)O(3) was investigated for its structural characteristics.

Purpose of the Study:

• To determine the crystal structure of C(7)H(8)N(2)O(3).
• To analyze the intermolecular interactions, specifically hydrogen bonding, within the crystal.
• To describe the resulting supramolecular architecture.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic software.
• Analysis of bond lengths, angles, and intermolecular contacts was performed.

Main Results:

• The asymmetric unit contains two approximately planar molecules of C(7)H(8)N(2)O(3).
• Molecules are organized into [010] chains via alternating N-H⋯O and N-H⋯(N,O) hydrogen bonds.
• The root-mean-square deviations for the planar molecules were determined to be 0.058 and 0.070 Å.

Conclusions:

• The crystal structure of C(7)H(8)N(2)O(3) is characterized by planar molecules forming hydrogen-bonded chains.
• The identified hydrogen bonding network dictates the supramolecular assembly in the solid state.
• This structural information provides a basis for understanding the compound's physical and chemical behavior.