2-[2-(Methyl-sulfon-yl)eth-yl]isoindoline-1,3-dione.
1Department of Applied Chemistry, College of Science, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.
Summary
The crystal structure of C(11)H(11)NO(4)S reveals an almost planar isoindoline ring system. Intermolecular interactions and pi-pi contacts stabilize the molecule into a 3D network.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The isoindoline scaffold is present in various biologically active compounds, necessitating detailed structural studies.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(11)H(11)NO(4)S.
- To investigate the intermolecular interactions governing the solid-state packing of the molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including hydrogen bonds and pi-pi stacking, was performed.
Main Results:
- The isoindoline ring system in C(11)H(11)NO(4)S exhibits near planarity (maximum deviation of 0.008(3) Å).
- The crystal packing is characterized by a three-dimensional network formed through intermolecular C-H⋯O interactions.
- Stabilization of the crystal structure is further suggested by observed π-π contacts between isoindoline rings (centroid-centroid distances of 3.592(1) and 3.727(1) Å).
Conclusions:
- The study provides a detailed structural characterization of C(11)H(11)NO(4)S at the molecular and crystalline level.
- The identified intermolecular interactions highlight the factors contributing to the stability of the compound in the solid state.
- This structural information can serve as a basis for further investigations into the compound's chemical and physical properties.
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