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![Microwave-assisted One-pot Synthesis of N-succinimidyl-4-[18F]fluorobenzoate ([18F]SFB)](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F2755.jpg&w=3840&q=50)
08:33
Microwave-assisted One-pot Synthesis of N-succinimidyl-4-[18F]fluorobenzoate ([18F]SFB)
Published on: June 28, 2011
N-(3-Chloro-2-methyl-phen-yl)succinamic acid
Summary
This study details the crystal structure of C(11)H(12)ClNO(3), revealing a 44.9° dihedral angle between its benzene ring and amide group. Molecules form dimers through hydrogen bonds, creating layered sheets in the crystal lattice.
Area of Science:
- Crystallography
- Chemical Physics
- Organic Chemistry
Background:
- Understanding molecular interactions and crystal packing is crucial in materials science and drug design.
- The specific compound C(11)H(12)ClNO(3) presents an interesting case for structural analysis due to its functional groups.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(11)H(12)ClNO(3).
- To investigate the intermolecular interactions, specifically hydrogen bonding, that govern the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
- Hydrogen bond analysis identified the specific interactions and their geometry.
Main Results:
- The dihedral angle between the benzene ring and the amide group was determined to be 44.9(2)°.
- Molecules were observed to form inversion dimers facilitated by O-H⋯O hydrogen bonds.
- These dimers are further organized into sheets parallel to the (013) crystallographic plane through N-H⋯O hydrogen bonds.
Conclusions:
- The crystal structure of C(11)H(12)ClNO(3) is characterized by specific dihedral angles and a hierarchical arrangement of hydrogen-bonded networks.
- The identified hydrogen bonding patterns (O-H⋯O and N-H⋯O) dictate the formation of dimers and extended sheets, providing a fundamental understanding of its solid-state behavior.
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