4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-on...

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Organic chemistry

Background:

• Understanding intermolecular interactions is crucial for designing novel materials.
• Hydrogen bonding plays a key role in molecular self-assembly and crystal structure formation.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of the title compound C(28)H(27)ClN(4)O(4).C(2)H(6)O.
• To investigate the role of hydrogen bonding and other weak interactions in the molecular assembly.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
• Analysis of hydrogen bond distances and angles to characterize intermolecular interactions.

Main Results:

• Molecules form extended chains along the c axis via N--H...O hydrogen bonds (N...O = 2.761 Å, N--H...O = 165°).
• Weak C--H...O interactions (C.O = 3.344 Å, C--H...O = 150°) further link the molecules.
• Ethanol solvent molecules are incorporated into the structure, forming O--H...N hydrogen bonds (O...N = 2.904 Å, O--H...N = 175°) with the chains.

Conclusions:

• The crystal structure is characterized by a combination of strong N--H...O and O--H...N hydrogen bonds, along with weaker C--H...O interactions.
• These interactions dictate the formation of 1D chains and the incorporation of solvent molecules, highlighting principles of crystal engineering.