N'-(3-Bromo-4-methoxy-benzyl-idene)nicotinohydrazide monohydrate.
This study details the crystal structure of a brominated organic compound, C(14)H(12)BrN(3)O(2)·H(2)O. The research highlights the specific orientation of its benzene and pyridine rings and its hydrogen bonding interactions with water molecules.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Hydrogen bonding plays a significant role in the assembly and stability of crystal structures.
- The specific arrangement of aromatic rings influences molecular packing and intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(12)BrN(3)O(2)·H(2)O.
- To analyze the spatial relationship between the benzene and pyridine rings within the crystal lattice.
- To investigate the hydrogen bonding network involving the organic molecule and solvent water.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
- Intermolecular interactions, including hydrogen bonding, were identified and characterized using crystallographic data.
Main Results:
- The crystal structure of C(14)H(12)BrN(3)O(2)·H(2)O was successfully determined.
- A dihedral angle of 39.66(11)° was observed between the benzene and pyridine rings.
- The solvent water molecule participates in hydrogen bonding through O-H⋯O, O-H⋯N, and N-H⋯O interactions.
Conclusions:
- The determined crystal structure provides a detailed understanding of the molecular conformation and packing.
- The observed dihedral angle indicates a significant twist between the aromatic systems.
- The intricate hydrogen bonding network highlights the role of water in stabilizing the crystal structure.
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