Two cyclohexanespiro-5'-hydantoin monohydrates

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Cyclohexanespiro-5′-hydantoin monohydrate is a chemical compound with potential applications in various fields.
• Understanding its molecular structure and intermolecular interactions is crucial for its development.
• The indolyl adduct presents a more complex structure for investigation.

Purpose of the Study:

• To elucidate the crystal structure of cyclohexanespiro-5′-hydantoin monohydrate.
• To determine the structural characteristics of the 2-(3-indolyl)cyclohexanespiro-5′-hydantoin monohydrate adduct.
• To analyze the conformation of the cyclohexane ring and hydrogen bonding patterns in both compounds.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structures.
• Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular geometry.
• Intermolecular hydrogen bonding networks were identified and characterized.

Main Results:

• Cyclohexanespiro-5′-hydantoin monohydrate exhibits a chair-shaped cyclohexane ring with specific endocyclic torsion angles.
• The indolyl adduct also shows a chair conformation for the cyclohexane moiety, with the indolyl group in an equatorial position.
• Both compounds display extensive intermolecular hydrogen bonding involving all potential donors, with defined hydrogen bond lengths.

Conclusions:

• The study provides detailed structural information on cyclohexanespiro-5′-hydantoin monohydrate and its indolyl adduct.
• The chair conformation of the cyclohexane ring and the equatorial positioning of the indolyl substituent are key structural features.
• The comprehensive analysis of hydrogen bonding contributes to understanding the solid-state behavior of these compounds.