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Anticancer and antifertility agents. II. N,N'-hexamethylenebis(3-pyridinecarboxamide)
1Department of Chemistry, Peking University, Beijing, People's Republic of China.
Acta Crystallographica. Section C, Crystal Structure Communications
|September 15, 1996
Summary
This study details the crystal structure of N,N'-hexamethylenebis-(3-pyridinecarboxamide), a centrosymmetric molecule. The analysis revealed intermolecular hydrogen bonds, crucial for understanding its solid-state properties.
Area of Science:
- Crystallography
- Molecular Structure
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in molecules is fundamental to chemistry and materials science.
- Hydrogen bonds play a critical role in molecular self-assembly and the stability of crystal structures.
Purpose of the Study:
- To elucidate the crystal structure of N,N '-hexamethylenebis-(3-pyridinecarboxamide).
- 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 bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- The molecule N,N '-hexamethylenebis-(3-pyridinecarboxamide) (C18H22N4O2) exhibits a centrosymmetric structure.
- The asymmetric unit contains half of the molecule due to a crystallographic center of inversion.
- Intermolecular N-H...O = C hydrogen bonds with distances of [N...O 2.996(2) A] were identified.
Conclusions:
- The crystal structure confirms the centrosymmetric nature of N,N '-hexamethylenebis-(3-pyridinecarboxamide).
- The presence of specific intermolecular hydrogen bonds dictates the packing arrangement and influences the molecule's properties.