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Updated: Jun 1, 2026

Preparation of Enantiopure Non-Activated Aziridines and Synthesis of Biemamide B, D, and epiallo-Isomuscarine
Published on: June 13, 2022
(E)-N'-(4-Bromo-benzyl-idene)-3,4-dihydroxy-benzohydrazide monohydrate
This study details the crystal structure of a Schiff base compound, C(14)H(11)BrN(2)O(3)·H(2)O. Molecular analysis reveals specific dihedral angles and hydrogen bonding patterns influencing crystal packing.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Schiff bases are versatile organic compounds with applications in various fields.
- Understanding the crystal structure is crucial for predicting material properties.
- Hydrogen bonding plays a significant role in molecular self-assembly and crystal engineering.
Purpose of the Study:
- To elucidate the crystal structure of the title Schiff base compound, C(14)H(11)BrN(2)O(3)·H(2)O.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
- To analyze the molecular conformation, including the dihedral angle between the benzene rings.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational details.
- Identification and analysis of hydrogen bonding networks (O-H⋯O and N-H⋯O) were performed.
Main Results:
- The crystal structure of C(14)H(11)BrN(2)O(3)·H(2)O was successfully determined.
- A significant dihedral angle of 22.7(2)° was observed between the two benzene rings of the Schiff base.
- Intra-molecular O-H⋯O hydrogen bonds and inter-molecular O-H⋯O and N-H⋯O hydrogen bonds were identified, leading to layered structures.
Conclusions:
- The study provides a detailed crystallographic description of the Schiff base compound.
- The observed hydrogen bonding network dictates the supramolecular architecture in the solid state.
- These findings contribute to the understanding of structure-property relationships in Schiff base derivatives.
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