5-Meth-oxy-2-[(5-meth-oxy-1H-indol-1-yl)carbon-yl]-1H-indole.
Summary
This study details the crystal structure of C(19)H(16)N(2)O(3), revealing three independent molecules with twists and bent shapes. These molecules form dimeric aggregates and self-associate in specific crystal arrangements.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
- The specific arrangement of organic molecules in a crystal lattice dictates material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(19)H(16)N(2)O(3).
- To analyze the molecular conformation, including torsion angles and dihedral angles.
- To investigate the intermolecular interactions and aggregation patterns in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
- Geometric parameters such as torsion and dihedral angles were calculated.
- Analysis of hydrogen bonding and other non-covalent interactions was performed to understand crystal packing.
Main Results:
- The asymmetric unit contains three independent molecules (A, B, and C) of C(19)H(16)N(2)O(3).
- Molecules exhibit conformational flexibility with twists between carbonyl and amine groups (torsion angles) and bent shapes (dihedral angles).
- Molecules A and B form dimeric aggregates via ten-membered synthons, while molecule C self-associates about a center of inversion.
Conclusions:
- The crystal structure of C(19)H(16)N(2)O(3) reveals distinct molecular conformations and specific intermolecular aggregation patterns.
- The observed dimeric and self-associative behaviors are driven by specific hydrogen bonding interactions.
- This structural information provides insights into the solid-state behavior of this organic compound.
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