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Published on: October 11, 2019
2-(Dimethyl-amino)-anthraquinone
1Key Laboratory of Pesticide and Chemical Biology of the Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
Summary
This study details the crystal structure of a C(16)H(13)NO(2) molecule, revealing its near-planar geometry and intermolecular interactions. The findings contribute to understanding molecular packing in organic crystals.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Crystal structure analysis provides fundamental insights into molecular conformation and intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(16)H(13)NO(2).
- To analyze the planarity and inter-ring dihedral angles of the molecule.
- To identify and characterize intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of atomic deviations from the least-squares plane.
- Identification of hydrogen bonding and other weak interactions.
Main Results:
- The molecule C(16)H(13)NO(2) exhibits a nearly planar conformation, with a maximum deviation of 0.013(2) Å from the best plane.
- The dihedral angle between the two aromatic rings is a small 1.06(1)°.
- Intra-molecular C-H⋯O interactions were observed, leading to the formation of crystal chains parallel to the [10] direction.
Conclusions:
- The title compound possesses a highly planar molecular structure.
- Weak intra-molecular interactions play a significant role in the crystal packing, dictating the formation of extended chain structures.
- These structural details are important for understanding the solid-state behavior and potential applications of this organic compound.
