(S)-2-(Iodo-meth-yl)-1-tosyl-pyrrolidine

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their chemical behavior and properties.
• Conformational analysis provides insights into molecular stability and reactivity.

Purpose of the Study:

• To determine the precise three-dimensional structure of the molecule C(12)H(16)INO(2)S.
• To characterize the specific conformation of the pyrrolidine ring within the molecule.
• To quantify the spatial relationship between the pyrrolidine and benzene rings.

Main Methods:

• Single-crystal X-ray diffraction was employed to obtain detailed structural data.
• Conformational analysis was performed using crystallographic data to describe the pyrrolidine ring's geometry.
• Dihedral angles were calculated to define the relative orientation of ring systems.

Main Results:

• The molecule C(12)H(16)INO(2)S was structurally elucidated.
• The pyrrolidine ring was found to adopt an envelope conformation.
• A dihedral angle of 75.5(4)° was measured between the pyrrolidine and benzene rings.

Conclusions:

• The envelope conformation of the pyrrolidine ring in C(12)H(16)INO(2)S is established.
• The determined dihedral angle provides a quantitative measure of the non-planar interaction between the ring systems.
• This structural information is fundamental for further studies on this compound's properties and potential applications.