3-(Phenyl-carbamoyl)acrylic acid

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
• Crystal structure analysis provides fundamental insights into intermolecular forces and solid-state behavior.

Purpose of the Study:

• To elucidate the crystal structure of the organic compound C(10)H(9)NO(3).
• To analyze the molecular geometry, including dihedral angles and hydrogen bonding patterns.
• To describe the intermolecular interactions and crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and hydrogen bonding networks.
• Description of the unit cell and packing arrangement.

Main Results:

• The dihedral angle between the phenyl ring and the amide group was determined to be 10.8(2)°.
• An intramolecular hydrogen bond (O-H⋯O) was observed, forming an S(7) ring.
• Intermolecular N-H⋯O hydrogen bonds create C(7) chains, and C-H⋯O interactions contribute to sheet formation in the crystal.

Conclusions:

• The crystal structure of C(10)H(9)NO(3) is characterized by specific molecular conformations and hydrogen bonding.
• The observed intermolecular interactions dictate a layered packing motif within the crystal lattice.
• This structural information is vital for understanding the compound's physical properties and potential applications.