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Acta Crystallographica. Section E, Structure Reports Online
|December 27, 2011
Summary
Crystallographic analysis reveals the molecular structure of C(14)H(18)N(3)OP. The compound features a distorted tetrahedral phosphorus atom and forms hydrogen-bonded chains in its crystal structure.
Area of Science:
- Crystallography
- Molecular Chemistry
- Supramolecular Chemistry
Background:
- The title compound, C(14)H(18)N(3)OP, possesses a unique molecular architecture.
- Understanding the solid-state structure is crucial for predicting chemical properties and reactivity.
Purpose of the Study:
- To elucidate the crystal structure of C(14)H(18)N(3)OP.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- A crystallographic mirror plane bisects the molecule, with the dimethyl-amido moiety and P=O unit lying on this plane.
- The phosphorus atom exhibits a distorted tetrahedral geometry, with bond angles ranging from 98.98(11)° to 115.28(7)°.
- The P=O oxygen atom acts as a double hydrogen bond acceptor, forming [001] chains with R(2)(1)(6) loops via N-H⋯O interactions.
Conclusions:
- The crystal structure of C(14)H(18)N(3)OP is characterized by molecular symmetry and distorted tetrahedral geometry at the phosphorus center.
- Intermolecular hydrogen bonding plays a significant role in organizing the crystal packing, leading to the formation of extended chain structures.
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