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Updated: Jun 1, 2026
09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
2-Iodo-N-(6-methyl-2-pyrid-yl)benzamide
Summary
This study details the crystal structure of C(13)H(11)IN(2)O, revealing two independent molecules. Intermolecular interactions, including hydrogen bonds and halogen bonds, form dimers and stabilize the crystal lattice.
Area of Science:
- Crystallography
- Chemical Physics
- Materials Science
Background:
- The study of molecular structure and intermolecular forces is crucial for understanding material properties.
- Organic compounds containing iodine and nitrogen offer unique electronic and structural characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(13)H(11)IN(2)O.
- To investigate the types and strengths of intermolecular interactions present in the crystal lattice.
- To characterize the packing arrangement and stability of the compound in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond distances, bond angles, and dihedral angles provided structural insights.
- Identification and quantification of intermolecular interactions, including hydrogen bonds, halogen bonds, and C-H···π interactions.
Main Results:
- The asymmetric unit contains two crystallographically independent molecules of C(13)H(11)IN(2)O.
- Dihedral angles between ring planes were measured as 53.56(9)° and 72.14(19)°.
- Intermolecular N-H⋯N hydrogen bonds and I⋯O interactions form dimers, with R(2)(2)(8) ring motifs observed.
- Short intermolecular I⋯O (3.1458(15) Å) and I⋯N (3.4834(16) Å) contacts were identified.
- Crystal structure stabilization is further achieved through intermolecular C-H⋯π interactions.
Conclusions:
- The crystal structure of C(13)H(11)IN(2)O is characterized by the presence of two independent molecules and diverse intermolecular interactions.
- Hydrogen bonding and halogen bonding play significant roles in the formation of dimeric units.
- The identified short I⋯O and I⋯N contacts, along with C-H⋯π interactions, contribute to the overall crystal lattice stability.
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