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Updated: May 31, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
(2E)-2-[2-(Cyclo-hexyl-carbamothio-yl)hydrazinylidene]-propanoic acid
Summary
This study details the crystal structure of a thio-urea derivative, revealing specific molecular twists and bond conformations. The research highlights the formation of unique supra-molecular chains through hydrogen bonding interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Thio-urea derivatives are versatile organic compounds with diverse applications.
- Understanding the crystal structure of novel derivatives is crucial for predicting their properties and potential uses.
Purpose of the Study:
- To elucidate the detailed crystal structure of a specific thio-urea derivative (C(10)H(17)N(3)O(2)S).
- To analyze the molecular conformation, including dihedral angles and bond characteristics.
- To investigate the intermolecular interactions driving crystal packing and supra-molecular assembly.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
- Geometric parameters such as bond lengths, bond angles, and dihedral angles were precisely measured.
- Analysis of hydrogen bonding networks (inter- and intra-molecular) was performed to understand crystal assembly.
Main Results:
- The carboxyl group and cyclo-hexyl ring exhibit significant twisting relative to the central CN(3)S plane (dihedral angles 7.18(8)° and 62.29(4)°, respectively).
- The azomethine bond displays an E conformation with a length of 1.275(2) Å.
- The crystal structure is characterized by linear supra-molecular chains along [110], facilitated by alternating O-H⋯O and N-H⋯S hydrogen bonds.
Conclusions:
- The study provides a comprehensive structural characterization of the thio-urea derivative.
- The identified supra-molecular architecture, driven by specific hydrogen bonding patterns, offers insights into crystal engineering.
- The findings contribute to the understanding of structure-property relationships in thio-urea compounds.
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