N-(2-Chloro-4-nitro-phen-yl)-2-nitro-benzamide
This study details the molecular structure of a novel chlorinated nitrobenzamide compound. Crystal analysis reveals specific dihedral angles and intermolecular hydrogen bonds influencing its crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties.
- Chlorinated benzamides are a class of compounds with diverse applications, necessitating detailed structural characterization.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(13)H(8)ClN(3)O(5).
- To analyze the conformational preferences and 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, dihedral angles, and intermolecular interactions (hydrogen bonds) was performed.
Main Results:
- The dihedral angle between the two aromatic rings was determined to be 70.74(6)°.
- Nitro groups exhibited significant twists: 2.6(1)° on the chlorine-substituted ring and 31.3(2)° on the benzamide ring.
- Intermolecular C-H⋯O hydrogen bonds were identified, leading to sheet-like structures stacked along the [010] direction.
Conclusions:
- The crystal structure of C(13)H(8)ClN(3)O(5) is characterized by a significant inter-ring dihedral angle and specific nitro group orientations.
- The identified hydrogen bonding network plays a key role in the observed crystal packing, influencing the solid-state arrangement.
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