4-Nitro-phenyl methacrylate.

Area of Science:

• Organic Chemistry
• Crystallography

Background:

• Benzyl cyclo-hexyl-carbamate synthesis is a known chemical process.
• Serendipitous discovery of novel compounds can advance chemical understanding.

Purpose of the Study:

• To characterize the structure and properties of a serendipitously synthesized compound, C(10)H(9)NO(4).
• To elucidate the molecular arrangement and intermolecular interactions within 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 structural insights.
• Identification of intermolecular interactions, including C-H⋯O bonds and π stacking, was performed.

Main Results:

• The compound C(10)H(9)NO(4) was successfully synthesized serendipitously.
• The molecule exhibits two approximately planar segments: a nitro-phenyl ring and the remaining non-hydrogen atoms.
• A significant dihedral angle of 55.05(6)° was observed between these planar segments.
• The crystal structure is stabilized by weak C-H⋯O interactions and π stacking along the b axis with a distance of 3.753(1) Å.

Conclusions:

• The serendipitous synthesis yielded a unique nitro-phenyl compound with a defined molecular conformation.
• The crystal packing is governed by a combination of weak hydrogen bonding and π-π interactions.
• This structural characterization provides valuable data for understanding structure-property relationships in related organic molecules.