7,8,9,10-Tetra-hydro-cyclo-hepta-[b]indol-6(5H)-one
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a molecule C(13)H(13)NO, revealing a near-planar arrangement of its benzene and pyrrole rings. Intermolecular hydrogen bonds and C-H⋯π interactions stabilize the crystal lattice.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding molecular conformation and intermolecular interactions is crucial in chemistry.
- The specific molecule C(13)H(13)NO presents an interesting combination of aromatic and aliphatic rings.
Purpose of the Study:
- To elucidate the detailed three-dimensional structure of the molecule C(13)H(13)NO.
- To identify and characterize the intermolecular interactions present in the crystal state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal structure to identify hydrogen bonding and other non-covalent interactions.
Main Results:
- The dihedral angle between the benzene and pyrrole rings is 1.05(5)°, indicating near planarity.
- The cyclo-heptene ring exhibits a slightly distorted boat conformation.
- Intermolecular N-H⋯O hydrogen bonds form centrosymmetric dimers.
- A C-H⋯π interaction involving the benzene ring was observed.
Conclusions:
- The crystal structure of C(13)H(13)NO is characterized by specific ring conformations and stabilizing intermolecular forces.
- The findings provide insights into the solid-state behavior and packing of this organic molecule.
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