4-Anilino-3-nitro-N-phenyl-benzamide
Summary
This study details the crystal structure of a C(19)H(15)N(3)O(3) compound, revealing specific molecular orientations and hydrogen bonding. These interactions, including pi-pi stacking, influence the compound's crystal packing and stability.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Crystal structure analysis provides detailed insights into molecular conformation and intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(19)H(15)N(3)O(3).
- To analyze the molecular geometry, including dihedral angles and nitro group orientation.
- To investigate the intermolecular interactions governing crystal packing.
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 intra- and intermolecular hydrogen bonds and pi-pi interactions.
Main Results:
- The anilino and benzamide rings exhibit distinct dihedral angles relative to the nitro-substituted benzene ring.
- The nitro group shows a slight twist relative to its attached benzene ring.
- Intra-molecular N-H⋯O hydrogen bonding forms an S(6) ring, while inter-molecular hydrogen bonds and slipped pi-pi interactions stabilize the crystal lattice.
Conclusions:
- The crystal structure of C(19)H(15)N(3)O(3) is characterized by specific dihedral angles and a twisted nitro group.
- Intra- and intermolecular hydrogen bonding, along with pi-pi interactions, play significant roles in stabilizing the molecular arrangement in the crystal.
- The findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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