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Updated: Jun 1, 2026
11:04
Preparation of Enantiopure Non-Activated Aziridines and Synthesis of Biemamide B, D, and epiallo-Isomuscarine
Published on: June 13, 2022
(E)-N'-(5-Bromo-2-methoxy-benzyl-idene)-3-methoxy-benzohydrazide
Summary
This study reveals distinct molecular structures and packing in a novel C(16)H(15)BrN(2)O(3) compound. Differences in dihedral angles and intermolecular interactions like hydrogen bonds and pi-pi stacking were observed.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- The study investigates the solid-state structure of a specific organic compound.
- Understanding molecular conformation and intermolecular forces is crucial in crystal engineering.
Purpose of the Study:
- To elucidate the crystal structure of C(16)H(15)BrN(2)O(3).
- To analyze the conformational differences between independent molecules in the asymmetric unit.
- To identify and describe the intermolecular interactions stabilizing the 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.
- Identification of intermolecular interactions, including hydrogen bonding and pi-pi stacking.
Main Results:
- The asymmetric unit contains two independent molecules (A and B) of C(16)H(15)BrN(2)O(3).
- Significant differences in the dihedral angles between aromatic rings were observed (72.6° for A vs. 18.8° for B).
- The crystal structure is stabilized by intermolecular N-H⋯O hydrogen bonds forming chains along the c-axis, with additional π-π interactions present in molecule A.
Conclusions:
- The compound C(16)H(15)BrN(2)O(3) exhibits polymorphism in the solid state due to conformational variations.
- Intermolecular hydrogen bonding and π-π interactions play key roles in directing the crystal packing and influencing molecular arrangement.
- The findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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