3-Eth-oxy-methyl-1,4-dihydro-quinolin-4-one

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Dihydro-quinolinone derivatives are important scaffolds in medicinal chemistry.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of a specific dihydro-quinolinone derivative, C(12)H(13)NO(2).
• To analyze the planarity of the fused-ring system and the orientation of the ethoxy-methyl substituent.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and deviations from planarity.
• Identification of intermolecular hydrogen bonding networks.

Main Results:

• The dihydro-quinolinone fused-ring system exhibits near planarity with a maximum deviation of 0.012(3) Å.
• The ethoxy-methyl substituent is oriented at approximately 86.9(2)° relative to the fused-ring system.
• Adjacent molecules are connected by N-H⋯O(carbonyl) hydrogen bonds, forming chains along the b-axis.

Conclusions:

• The crystal packing is dominated by a specific hydrogen bonding motif, influencing the overall structure.
• The detailed structural information provides a foundation for further studies on the properties and applications of this compound.
• This work contributes to the understanding of structure-property relationships in dihydro-quinolinone systems.