2-(2-Iodo-phen-yl)isoindoline-1,3-dione
Summary
This study details the crystal structure of a novel organic compound, C(14)H(8)INO(2). Researchers observed a near-perpendicular arrangement between its isoindole and iodobenzene rings, alongside a significant intermolecular iodine-oxygen interaction.
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.
- Intermolecular interactions, such as halogen bonding, play a significant role in crystal packing and material properties.
Purpose of the Study:
- To elucidate the crystal structure of the novel organic compound C(14)H(8)INO(2).
- To analyze the dihedral angle between the isoindole and phenyl rings.
- To identify and characterize any significant intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- The crystal structure was analyzed to measure bond lengths, bond angles, and dihedral angles.
- Intermolecular contacts were identified and quantified.
Main Results:
- The crystal structure of C(14)H(8)INO(2) was successfully determined.
- A significant dihedral angle of 84.77° was measured between the isoindole ring and the 1-iodobenzene group.
- A short intermolecular iodine-oxygen (I⋯O) contact of 3.068 Å was observed, indicating a potential halogen bonding interaction.
Conclusions:
- The compound C(14)H(8)INO(2) exhibits a highly twisted conformation between its core ring systems.
- The observed I⋯O contact suggests the presence of specific intermolecular forces that influence crystal packing.
- These findings contribute to the understanding of structure-property relationships in iodinated organic compounds.
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