N'-(Cyclo-hexyl-carbon-yl)isonicotino-hydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the precise arrangement of atoms in organic molecules is crucial for predicting their properties and potential applications.
• Crystal structure analysis provides fundamental insights into intermolecular forces and solid-state behavior.

Purpose of the Study:

• To elucidate the three-dimensional crystal structure of the compound C(13)H(17)N(3)O(2).
• To analyze the molecular geometry, including dihedral and torsion angles.
• To identify and characterize the intermolecular interactions stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and torsion angles was performed.
• Identification of hydrogen bonds (N-H⋯N, N-H⋯O, C-H⋯O) and C-H⋯π interactions was conducted.

Main Results:

• The crystal structure of C(13)H(17)N(3)O(2) was successfully determined.
• A dihedral angle of 33.12(5)° was observed between the cyclohexane and pyridine rings.
• A C-N-N-C torsion angle of -74.97(9)° indicates a specific twist between the two oxygen atoms.
• The crystal lattice is stabilized by a network of intermolecular N-H⋯N, N-H⋯O, and C-H⋯O hydrogen bonds, along with C-H⋯π interactions.

Conclusions:

• The study provides a detailed molecular and crystallographic description of C(13)H(17)N(3)O(2).
• The identified intermolecular interactions highlight the factors governing the compound's solid-state assembly.
• This structural information serves as a foundation for further investigations into the compound's chemical and physical properties.