6-Meth-oxyisobenzofuran-1(3H)-one.
Jorge L Pereira1, Róbson R Teixeira, Silvana Guilardi
1Departamento de Química-UFV, Viçosa, MG, Brazil.
Acta Crystallographica. Section E, Structure Reports Online
|November 6, 2012
Summary
The crystal structure of C(9)H(8)O(3) reveals a nearly planar molecular skeleton. Intermolecular interactions, including C-H⋯O and C-H⋯π bonds, stabilize the crystal packing, influencing molecular stacking.
Area of Science:
- Crystallography
- Solid-state chemistry
Background:
- Understanding molecular structure and interactions is crucial in solid-state chemistry.
- Crystal packing influences material properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound, C(9)H(8)O(3).
- To analyze the factors governing crystal packing and molecular arrangement.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions (C-H⋯O, C-H⋯π) and crystal packing was performed.
Main Results:
- The molecular skeleton of C(9)H(8)O(3) was found to be nearly planar, with a root-mean-square deviation of 0.016(2) Å.
- Weak intermolecular C-H⋯O and C-H⋯π interactions were identified as key factors in consolidating the crystal packing.
- Molecules were observed to stack along the [101] direction.
Conclusions:
- The study provides detailed structural information on C(9)H(8)O(3).
- Weak intermolecular forces play a significant role in the observed crystal architecture and molecular arrangement.
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