N'-[(3-Methyl-2-thien-yl)carbon-yl]isonicotinohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties.
• Pyridine and thiophene derivatives are important scaffolds in medicinal chemistry and materials science.
• Detailed crystallographic analysis provides insights into intermolecular interactions and molecular packing.

Purpose of the Study:

• To elucidate the crystal structure of the novel compound C(12)H(11)N(3)O(2)S.
• To analyze the dihedral angles between the pyridine, thiophene, and hydrazide units.
• To investigate the intermolecular interactions, including hydrogen bonds and other non-covalent forces, present in 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, and torsion angles provided geometric information.
• Identification and analysis of intermolecular interactions (hydrogen bonds, S⋯O, C-H⋯π) were performed.

Main Results:

• The pyridine and thiophene rings exhibit a dihedral angle of 34.96(7)°.
• The hydrazide unit forms dihedral angles of 21.57(8)° and 53.08(8)° with the pyridine and thiophene rings, respectively.
• The crystal structure is stabilized by intermolecular N-H⋯N, N-H⋯O, and C-H⋯O hydrogen bonds, forming a 3D network, alongside a short S⋯O interaction (3.2686(10) Å).

Conclusions:

• The study provides a comprehensive structural characterization of the C(12)H(11)N(3)O(2)S compound.
• The observed molecular geometry and intermolecular interactions dictate the compound's packing in the solid state.
• The findings contribute to the understanding of structure-property relationships in heterocyclic compounds.