N'-(3-Phenyl-allyl-idene)nicotinohydrazide monohydrate
Summary
This study details the crystal structure of a pyridine and phenyl compound, revealing specific dihedral angles and intermolecular hydrogen bonding interactions. The findings provide insights into the compound's solid-state molecular arrangement.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of molecules in the solid state is crucial for predicting chemical properties.
- Hydrogen bonding and other non-covalent interactions play a significant role in crystal packing and molecular recognition.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(15)H(13)N(3)O·H(2)O.
- To analyze the dihedral angle between the pyridine and phenyl rings.
- To identify and characterize intermolecular interactions, including hydrogen bonds and C-H⋯π interactions.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.
- Geometric parameters, including dihedral angles and distances, were calculated.
Main Results:
- The dihedral angle between the pyridine and phenyl rings was determined to be 35.45(7)°.
- The crystal structure exhibits extensive intermolecular hydrogen bonding, including O-H⋯O, O-H⋯N, N-H⋯O, and C-H⋯O interactions.
- C-H⋯π interactions involving the pyridine and phenyl rings were also observed, contributing to the overall crystal packing.
Conclusions:
- The crystal structure of C(15)H(13)N(3)O·H(2)O is characterized by a specific dihedral angle between its aromatic rings.
- Intermolecular hydrogen bonds and C-H⋯π interactions are key features governing the solid-state architecture of this compound.
- These findings contribute to the understanding of crystal engineering principles for organic molecules.
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