1-Nitro-4-(2-nitro-prop-1-en-yl)benzene
Summary
Two independent molecules of C(9)H(8)N(2)O(4) were identified in the crystal structure, both exhibiting E configuration. These molecules form columns via pi-pi interactions and hydrogen bonds, creating a 3D network.
Area of Science:
- Crystallography
- Solid-state chemistry
- Organic chemistry
Background:
- Understanding molecular arrangement in crystals is key to predicting material properties.
- Intermolecular forces, such as pi-pi interactions and hydrogen bonds, dictate crystal packing.
- The specific compound C(9)H(8)N(2)O(4) has potential applications influenced by its solid-state structure.
Purpose of the Study:
- To determine the crystal structure of C(9)H(8)N(2)O(4).
- To investigate the intermolecular interactions governing the packing of C(9)H(8)N(2)O(4) molecules.
- To elucidate the three-dimensional network formed by these molecules in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- The crystallographic data was processed to determine molecular geometry and packing arrangements.
- Intermolecular interactions, including pi-pi stacking and hydrogen bonds, were identified and analyzed.
Main Results:
- The asymmetric unit contains two crystallographically independent molecules of C(9)H(8)N(2)O(4).
- Both molecules adopt an E configuration around the central C=C bond.
- Molecules stack into columns along the c axis through pi-pi interactions (centroid-centroid distances of 3.695(3) and 3.804(3) Å).
- A three-dimensional network is formed via C-H⋯O hydrogen bonds connecting these columns.
Conclusions:
- The crystal structure of C(9)H(8)N(2)O(4) reveals a specific arrangement driven by pi-pi and hydrogen bonding interactions.
- The observed packing suggests potential for ordered solid-state properties.
- Further studies could explore the implications of this crystal structure on material characteristics.
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