N-(2,4-Dinitro-phen-yl)-1,3-dimeth-oxy-isoindolin-2-amine.
Na-Na Du1, Hua-Jie Xu, Liang-Quan Sheng
1Department of Chemistry, Fuyang Normal College, Fuyang, Anhui 236041, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|November 18, 2011
Summary
This study details the crystal structure of a compound C(16)H(16)N(4)O(6), revealing a significant dihedral angle between its isoindole and dinitro-benzene groups. It also highlights intramolecular hydrogen bonding and crystal dimer formation.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular interactions and conformations is crucial in organic chemistry.
- Crystal structure analysis provides detailed insights into intra- and intermolecular forces.
Purpose of the Study:
- To elucidate the three-dimensional molecular structure of the title compound, C(16)H(16)N(4)O(6).
- To investigate the spatial arrangement and bonding interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts.
Main Results:
- The dihedral angle between the isoindole and dinitro-benzene groups was determined to be 84.15(8)°.
- The nitrogen atom of the isoindole group showed a displacement of 0.2937(3) Å from its plane.
- An intramolecular N-H⋯O interaction was identified.
- Inversion dimers linked by N-H⋯O hydrogen bonds were observed in the crystal structure.
Conclusions:
- The compound C(16)H(16)N(4)O(6) exhibits a specific non-planar conformation due to the orientation of its aromatic systems.
- Intramolecular hydrogen bonding plays a role in stabilizing the molecular conformation.
- Intermolecular hydrogen bonding dictates the crystal packing, forming inversion dimers.
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