Methyl N'-[(E)-2-methoxy-benzyl-idene]-hydrazinecarboxyl-ate

Area of Science:

• Crystallography
• Molecular structure analysis
• Organic chemistry

Background:

• Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
• The specific compound C(10)H(12)N(2)O(3) has not been previously characterized in detail regarding its crystalline form.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(10)H(12)N(2)O(3).
• To analyze the molecular conformations and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular geometry.
• Identification of hydrogen bonds and other non-covalent interactions was performed.

Main Results:

• The asymmetric unit contains two independent molecules of C(10)H(12)N(2)O(3) with differing side-chain orientations.
• Both molecules adopt a trans configuration around the C=N bond.
• Crystal packing is dominated by N-H⋯O, N-H⋯N, and C-H⋯O hydrogen bonds, forming chains along the [001] direction.
• An intermolecular C-H⋯π interaction was also identified.

Conclusions:

• The crystal structure of C(10)H(12)N(2)O(3) reveals nuanced molecular arrangements and significant intermolecular interactions.
• The observed hydrogen bonding network dictates the formation of extended chains in the solid state.
• These findings contribute to the understanding of structure-property relationships in organic crystalline materials.