Ethyl 1-[(4-acetyl-2-methoxy-phen-oxy)meth-yl]cyclo-propane-1-carboxyl-ate
Summary
This study details the crystal structure of a compound C(16)H(20)O(5), revealing a 52.1° dihedral angle between its benzene and cyclopropane rings. Molecules form chains via weak C-H⋯O hydrogen bonds in the crystal.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular interactions and crystal packing is crucial in materials science.
- The specific arrangement of functional groups dictates a compound's physical and chemical properties.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(16)H(20)O(5).
- To analyze the dihedral angle between the benzene and cyclopropane rings.
- To investigate intermolecular interactions and their role in crystal formation.
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.
- Identification and analysis of intermolecular interactions, specifically hydrogen bonds.
Main Results:
- The crystal structure of C(16)H(20)O(5) was successfully determined.
- A dihedral angle of 52.1(2)° was measured between the planar benzene and cyclopropane rings.
- Weak intermolecular C-H⋯O hydrogen bonds were identified, leading to the formation of [001] chains.
Conclusions:
- The compound C(16)H(20)O(5) exhibits a specific spatial arrangement of its aromatic and alicyclic rings.
- Intermolecular hydrogen bonding plays a significant role in the self-assembly and chain formation of this compound in the solid state.
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