1-Meth-oxycarbonyl-2-(4-nitro-phen-yl)ethanaminium nitrate.

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular interactions is crucial for designing new materials.
• The nitro group and benzene ring interactions influence molecular conformation.
• Hydrogen bonding plays a key role in crystal lattice formation.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(10)H(13)O(4)N(2) (+)·NO(3) (-).
• To analyze the spatial arrangement and bonding of the nitro group and benzene ring.
• To investigate the role of hydrogen bonds in stabilizing the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
• Identification and analysis of intermolecular interactions, specifically hydrogen bonds.

Main Results:

• The nitro group and benzene ring were found to be essentially coplanar.
• A dihedral angle of 49.6(3)° was measured between the benzene ring and the methyl-carboxylate plane.
• The crystal structure is stabilized by cation-anion hydrogen bonds (N-H⋯O and N-H⋯N), forming sheets parallel to the (001) plane.

Conclusions:

• The determined crystal structure provides a detailed understanding of the compound's solid-state arrangement.
• The coplanarity of the nitro group and benzene ring, along with the observed dihedral angle, dictates specific molecular packing.
• Hydrogen bonding is confirmed as the primary stabilizing force, leading to the formation of layered structures.