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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
2,2'-Dihydroxybiphenyl-3,3'-di-carb-aldehyde dioxime
Summary
This study details the crystal structure of a C(14)H(12)N(2)O(4) compound, revealing its non-planar geometry and intramolecular hydrogen bonding. Intermolecular interactions stabilize the crystal lattice through hydrogen bonds and pi-stacking, forming layered structures.
Area of Science:
- Crystallography
- Molecular structure analysis
- Organic chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides precise details about molecular geometry, intermolecular interactions, and packing in the solid state.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(12)N(2)O(4).
- To characterize the molecular geometry, including planarity and bond orientations.
- To identify and describe the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
- Analysis of crystallographic data to identify symmetry elements, bond lengths, bond angles, and dihedral angles.
- Identification of hydrogen bonding networks and pi-stacking interactions.
Main Results:
- The molecule crystallizes with its center on an inversion center, bisecting an intra-annular bond.
- The molecule is non-planar, with a dihedral angle of 50.1° between the aromatic rings.
- An intramolecular hydrogen bond involving the oxime group was observed (E-configuration).
- Intermolecular O-H⋯O hydrogen bonds form chains along the [001] direction.
- Intermolecular pi-stacking interactions stabilize the crystal structure, forming layers parallel to the bc plane (centroid-to-centroid distance = 3.93 Å).
Conclusions:
- The crystal structure of C(14)H(12)N(2)O(4) is characterized by a non-planar conformation and specific hydrogen bonding patterns.
- The identified intermolecular interactions, including hydrogen bonding and pi-stacking, dictate the overall crystal architecture.
- This detailed structural information provides a foundation for understanding the compound's physical and chemical properties.
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