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Updated: Jun 1, 2026
08:47
Synthesis and Bioconjugation of Thiol-Reactive Reagents for the Creation of Site-Selectively Modified Immunoconjugates
Published on: March 6, 2019
(E)-1-[4-(Dimethyl-amino)benzyl-idene]thio-semicarbazide
Summary
This study details the crystal structure of a molecule containing a thiourea plane and benzene ring. Intermolecular hydrogen bonds form ribbon-like structures in the crystal lattice.
Area of Science:
- Crystallography
- Molecular Structure
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting their properties and interactions.
- Crystal engineering utilizes intermolecular forces to design and construct solid-state architectures with desired characteristics.
- Thiourea derivatives are known for their diverse applications, necessitating detailed structural characterization.
Purpose of the Study:
- To elucidate the crystal structure of the molecule C(10)H(14)N(4)S.
- To investigate the intermolecular interactions governing the self-assembly of these molecules in the solid state.
- To analyze the spatial relationship between the thiourea plane and the benzene ring within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal packing revealed the presence and nature of intermolecular interactions.
- Geometric parameters, including dihedral angles and hydrogen bond distances, were precisely measured.
Main Results:
- The molecule C(10)H(14)N(4)S exhibits a specific dihedral angle of 16.0(3) Å between its thiourea plane and benzene ring.
- Intermolecular N-H⋯S hydrogen bonds were identified as the primary driving force for molecular assembly.
- These hydrogen bonds organize the molecules into extended ribbons along the [100] crystallographic direction, forming inversion dimers.
Conclusions:
- The crystal structure of C(10)H(14)N(4)S is characterized by a defined spatial arrangement and specific intermolecular interactions.
- The formation of ribbon-like supramolecular chains via N-H⋯S hydrogen bonding is a key feature of its solid-state organization.
- This structural insight contributes to the understanding of thiourea-based crystal engineering and molecular self-assembly.
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