Potassium l-2-nitrimino-1,3-diazepane-4-carboxyl-ate monohydrate
1Molecule Structure Research Center, National Academy of Sciences RA, Azatutyan Avenue 26, 375014 Yerevan, Republic of Armenia.
Summary
This study details the crystal structure of a potassium salt hydrate, revealing specific atomic arrangements and hydrogen bonding interactions. The findings contribute to understanding the solid-state chemistry of this potassium compound.
Area of Science:
- Crystallography
- Solid-state chemistry
- Inorganic chemistry
Background:
- Understanding the crystal structure of potassium salts is crucial for various chemical applications.
- Potassium compounds exhibit diverse coordination chemistries and intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, K(+)·C(6)H(9)N(4)O(4) (-)·H(2)O.
- To investigate the coordination environment of potassium ions and hydrogen bonding networks.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of atomic positions, coordination numbers, and hydrogen bond geometries.
Main Results:
- The potassium (K) atoms are situated on special positions, exhibiting pseudocentres of symmetry.
- Each K atom is octahedrally coordinated by six oxygen donors.
- Extensive inter- and intra-molecular hydrogen bonding involving N-H and O-H groups was observed.
- The crystal structure exhibits inversion twinning.
Conclusions:
- The study provides a detailed structural characterization of the potassium salt hydrate.
- The observed coordination and hydrogen bonding patterns offer insights into the packing and stability of the crystal lattice.
- The presence of inversion twinning is noted as a crystallographic feature.
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