N-Butyl-pyridine-4-thio-carboxamide

Area of Science:

• Organic Chemistry
• Crystallography

Background:

• Understanding molecular conformation and crystal packing is crucial in organic chemistry.
• Thioamide compounds exhibit diverse structural motifs and intermolecular interactions.

Purpose of the Study:

• To elucidate the crystal structure and molecular conformation of the title compound C(10)H(14)N(2)S.
• To analyze the dihedral angle between the pyridine ring and the thioamide plane.
• To identify and describe the intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided conformational details.
• Hydrogen bonding interactions were identified using standard crystallographic methods.

Main Results:

• The n-butyl chain in C(10)H(14)N(2)S adopts a trans, zigzag conformation.
• The dihedral angle between the pyridine ring and the thioamide plane was determined to be 23.38(8)°.
• An intermolecular N-H⋯N hydrogen bond was observed, linking the molecules in the crystal structure.

Conclusions:

• The study successfully characterized the crystal structure of C(10)H(14)N(2)S.
• The conformational preferences and intermolecular interactions provide insights into the solid-state behavior of this thioamide derivative.
• The identified hydrogen bonding pattern is a key feature of the crystal packing.