N'-[(E)-2-Chloro-5-nitro-benzyl-idene]-2-nitro-benzohydrazide
1School of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Zhongshan 528453, People's Republic of China.
Summary
This study details the molecular structure of a specific chemical compound, C(14)H(9)ClN(4)O(5). Researchers observed a trans geometry and analyzed the crystal packing through hydrogen bonding interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The study of intermolecular forces, such as hydrogen bonding, provides insights into crystal packing and solid-state behavior.
Purpose of the Study:
- To elucidate the molecular geometry and crystal structure of the compound C(14)H(9)ClN(4)O(5).
- To investigate the intermolecular interactions governing the crystal packing of the title compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
- Identification and analysis of hydrogen bonding networks were performed.
Main Results:
- The molecule C(14)H(9)ClN(4)O(5) was confirmed to possess a trans geometry around the methylidene unit.
- A significant dihedral angle of 62.7° was measured between the two substituted benzene rings.
- Inversion dimers, facilitated by N-H⋯O hydrogen bonds, were identified, forming characteristic R(2)(2)(8) loops in the crystal lattice.
Conclusions:
- The crystal structure of C(14)H(9)ClN(4)O(5) is characterized by specific molecular geometry and intermolecular hydrogen bonding.
- The observed hydrogen bonding pattern dictates the formation of inversion dimers and influences the overall crystal architecture.
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