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2,2'-Dichloro-1,1'-[(pentane-1,5-diyldi-oxy)bis-(nitrilo-methyl-idyne)]dibenzene
Wen-Kui Dong1, Jun-Feng Tong, Jian-Chao Wu
1School of Chemical and Biological Engineering, Lanzhou Jiaotong University, Lanzhou 730070, People's Republic of China.
This study details the crystal structure of a C(19)H(20)Cl(2)N(2)O(2) molecule, revealing its linear configuration and intermolecular hydrogen bonding. These interactions form a unique zigzag supramolecular structure in the crystal lattice.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding molecular arrangement in the solid state is crucial for predicting material properties.
- The specific compound C(19)H(20)Cl(2)N(2)O(2) has not been previously characterized structurally.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(19)H(20)Cl(2)N(2)O(2).
- To investigate the intermolecular interactions governing the solid-state packing.
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 C(19)H(20)Cl(2)N(2)O(2) lies across a crystallographic inversion center, exhibiting a near-linear conformation.
- A small dihedral angle of 5.14(2)° was observed between the two molecular halves.
- Intermolecular C-H⋯O hydrogen bonds were identified, linking molecules into a zigzag supramolecular chain.
Conclusions:
- The crystal structure of C(19)H(20)Cl(2)N(2)O(2) is characterized by a linear molecular geometry and a supramolecular zigzag chain.
- The identified hydrogen bonding network dictates the self-assembly and packing in the solid state.
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