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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
Methyl 2-amino-5-chloro-benzoate.
Summary
This study reveals the near-planar structure of a novel compound, C(8)H(8)ClNO(2). Crystal analysis shows intermolecular hydrogen bonds forming chains and an intramolecular bond creating a six-membered ring.
Area of Science:
- Crystallography
- Chemical structure analysis
Background:
- Understanding molecular interactions is crucial in chemistry.
- Crystal structure determination provides insights into bonding and conformation.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(8)H(8)ClNO(2).
- To investigate the intermolecular and intramolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of atomic coordinates and bond lengths/angles.
Main Results:
- The title compound, C(8)H(8)ClNO(2), exhibits a nearly planar geometry, with a root-mean-square deviation of 0.0410 Å.
- Intermolecular N-H⋯O hydrogen bonds were observed, connecting molecules into chains along the b-axis.
- An intramolecular N-H⋯O hydrogen bond was identified, forming a stable six-membered ring.
Conclusions:
- The crystal packing is stabilized by a combination of intermolecular and intramolecular hydrogen bonding.
- The planar nature and hydrogen bonding patterns offer insights into the compound's physical and chemical properties.
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