N'-Cyclo-pentyl-idene-pyridine-4-carbo-hydrazide

Area of Science:

• Crystallography
• Medicinal Chemistry
• Drug Discovery

Background:

• Isoniazid is a primary drug for tuberculosis treatment.
• Understanding the structure of drug derivatives is crucial for developing new therapeutics.
• The title compound is a derivative of isoniazid, C(11)H(13)N(3)O.

Purpose of the Study:

• To elucidate the crystal structure of the isoniazid derivative C(11)H(13)N(3)O.
• To analyze the intermolecular interactions within the crystal lattice.
• To provide insights into the structure-activity relationship of isoniazid analogs.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding patterns and crystal packing was performed.
• The crystal structure was characterized based on its repeating units and motifs.

Main Results:

• The crystal structure consists of molecules arranged in repeating hydrogen-bonded chains along the b axis.
• Adjacent molecules are linked by bifurcated N-H⋯(O,N) hydrogen bonds.
• A characteristic R(1) (2)(5) ring motif was identified, describing the hydrogen bonding pattern.

Conclusions:

• The determined crystal structure provides a detailed molecular understanding of the isoniazid derivative.
• The identified hydrogen bonding network is key to the compound's crystal packing.
• This structural information can guide the design of new anti-tuberculosis agents.