N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]pyridine-4-carbohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the solid-state structure of organic compounds is essential for predicting their physical and chemical properties.
• Intermolecular interactions, such as hydrogen bonds and C-H interactions, play a critical role in crystal packing and material behavior.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(12)H(12)N(4)O.
• To identify and characterize the intermolecular interactions governing the compound's crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure involved identifying hydrogen bonds and other weak interactions.

Main Results:

• The pyridine and pyrrole rings within the molecule are inclined at an angle of 29.22(8)°.
• An intramolecular C-H⋯N interaction forms an S(6) ring.
• Intermolecular N-H⋯N hydrogen bonds link molecules into C(7) chains along the (010) direction.
• Weak C-H⋯O interactions create R(2)(2)(18) ring motifs, forming infinite sheets.
• Two C-H⋯π interactions were observed between the pyridine and pyrrole rings.

Conclusions:

• The crystal structure of C(12)H(12)N(4)O is characterized by a combination of intra- and intermolecular interactions.
• These interactions dictate the formation of chains, sheets, and specific ring motifs in the solid state.
• The findings provide insights into the supramolecular assembly of this organic compound.