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Updated: Jun 1, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
2-(3-Oxo-3,4-dihydro-2H-1,4-benzo-thia-zin-4-yl)acetic acid monohydrate
Summary
The thio-morpholine ring in C(10)H(9)NO(3)S·H(2)O adopts an intermediate conformation. Crystal packing reveals extensive hydrogen bonding, forming a 3D network between molecules.
Area of Science:
- Crystallography
- Chemical Physics
- Molecular Structure
Background:
- Understanding molecular conformation and crystal packing is crucial in solid-state chemistry.
- Hydrogen bonding plays a significant role in determining crystal lattice structures.
Purpose of the Study:
- To elucidate the specific conformation of the thio-morpholine ring in the title compound.
- To analyze the intermolecular interactions and crystal packing of C(10)H(9)NO(3)S·H(2)O.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding networks (O-H⋯O and C-H⋯O) within the crystal lattice.
Main Results:
- The thio-morpholine ring adopts a conformation between twist-boat and half-chair.
- Intermolecular O-H⋯O hydrogen bonds link acid and water molecules.
- A three-dimensional network is formed through O-H⋯O and C-H⋯O hydrogen bonds.
Conclusions:
- The study provides detailed structural insights into the thio-morpholine derivative.
- The observed hydrogen bonding network dictates the compound's solid-state architecture.
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