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4-Bromo-N-(4-meth-oxy-2-nitro-phen-yl)benzamide
This study details the crystal structure of a novel bromo-nitro-amide compound. Molecular geometry and intermolecular interactions were analyzed, revealing specific hydrogen bonding and short contact formations.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding molecular interactions is crucial in crystal engineering.
- Detailed structural analysis provides insights into chemical bonding and reactivity.
- The title compound, C(14)H(11)BrN(2)O(4), presents a unique combination of functional groups.
Purpose of the Study:
- To elucidate the crystal structure of the title compound.
- To analyze the molecular geometry, including dihedral angles and planarity.
- To investigate intermolecular interactions, such as hydrogen bonds and short contacts.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles.
- Identification and characterization of intra- and intermolecular interactions (hydrogen bonds, van der Waals forces, short contacts).
Main Results:
- The amide segment exhibits dihedral angles of 23.4(2)° and 20.5(2)° with the benzene rings.
- The dihedral angle between the benzene rings is 2.90(8)°.
- An intramolecular N-H⋯O hydrogen bond forms an S(6) ring motif, and molecules are linked into chains by C-H⋯O and C-H⋯Br interactions.
Conclusions:
- The crystal structure reveals specific conformational preferences and intermolecular packing.
- The presence of intra- and intermolecular interactions dictates the overall crystal architecture.
- This structural data contributes to the understanding of halogen bonding and supramolecular chemistry.
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