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Efficient Synthesis of Polyfunctionalized Benzenes in Water via Persulfate-promoted Benzannulation of α,β-Unsaturated Compounds and Alkynes
Published on: December 16, 2019
Benzhydryl phenyl sulfone
Mahiuddin Baidya1, Herbert Mayr, Peter Mayer
1Ludwig-Maximilians-Universität, Department, Butenandtstrasse 5-13, 81377 München, Germany.
Summary
This study details the crystal structure of a novel organic compound, C(19)H(16)O(2)S. Molecular analysis reveals specific phenyl group orientations and weak intermolecular interactions within the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Benzhydryl compounds and their derivatives are important in various chemical applications.
- Intermolecular forces, such as C-H···O interactions, play a significant role in crystal packing and material properties.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(19)H(16)O(2)S.
- To analyze the spatial arrangement and dihedral angles between the phenyl rings within the molecule.
- To investigate the intermolecular interactions and their contribution to the crystal network.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular conformation.
- Identification and analysis of intermolecular interactions, specifically C-H···O hydrogen bonds, were performed.
Main Results:
- The crystal structure of C(19)H(16)O(2)S was successfully determined.
- The sulfur-bound phenyl group exhibits specific orientations relative to the benzhydryl group's phenyl rings, with dihedral angles of 12.53(10)° and 41.25(9)°.
- Weak C-H···O interactions were observed, forming a two-dimensional network structure propagating along the bc plane.
Conclusions:
- The study provides a precise description of the molecular geometry and crystal packing of C(19)H(16)O(2)S.
- The observed dihedral angles highlight the conformational preferences of the phenyl groups in this specific molecular framework.
- The identified two-dimensional network formed by C-H···O interactions contributes to the overall stability and properties of the crystal.
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