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Updated: May 31, 2026
09:34
Synthesis of Information-bearing Peptoids and their Sequence-directed Dynamic Covalent Self-assembly
Published on: February 6, 2020
4-[(Dieth-oxy-phosphino-yl)meth-yl]benzoic acid.
Summary
This study details the crystal structure of a novel phosphonate compound. Molecular analysis reveals specific hydrogen bonding and weak interactions influencing its crystalline arrangement.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding the three-dimensional arrangement of molecules in crystalline solids is crucial for predicting material properties.
- Phosphonate compounds are of interest due to their diverse applications in medicine and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(17)N(2)O(5)P.
- To analyze the intermolecular interactions governing the compound's solid-state architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of dihedral angles and hydrogen bonding patterns was performed.
Main Results:
- The phosphonate group exhibits an almost orthogonal orientation relative to the ethyl groups (dihedral angle of 83.75°).
- Centrosymmetric dimers are formed via O-H⋯O hydrogen bonds, characterized by an R(2)(2)(20) graph set.
- Weak C-H⋯π interactions further stabilize the crystal lattice.
Conclusions:
- The crystal structure of C(12)H(17)N(2)O(5)P is characterized by specific phosphonate group orientation and robust intermolecular interactions.
- The identified hydrogen bonding and C-H⋯π interactions dictate the compound's packing in the solid state.
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