Potassium N-bromo-2-nitro-benzene-sulfonamidate monohydrate

Area of Science:

• Crystallography
• Inorganic Chemistry
• Organic Chemistry

Background:

• Understanding the coordination chemistry and crystal packing of sulfonamidate salts is crucial for materials science.
• Bromo-nitro-benzene derivatives are important intermediates in organic synthesis and have potential applications.

Purpose of the Study:

• To elucidate the crystal structure of the potassium salt of N-bromo-2-nitro-benzene-sulfonamidate hydrate.
• To analyze the coordination environment of the potassium ion and the bonding characteristics within the molecule.
• To investigate the intermolecular interactions stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and coordination numbers provided insights into the molecular geometry.
• Identification of hydrogen bonding networks and their role in crystal structure formation.

Main Results:

• The potassium ion is hepta-coordinated, interacting with water molecules and the sulfonamidate anion.
• The S-N bond distance suggests a double bond character, indicating specific electronic properties.
• Intermolecular O-H⋯N and O-H⋯Br hydrogen bonds were observed, leading to the formation of polymeric layers.

Conclusions:

• The crystal structure reveals a unique coordination environment for the potassium ion in this sulfonamidate salt.
• The identified hydrogen bonding patterns are key to the stabilization of the observed polymeric layered structure.
• This structural characterization provides valuable data for further studies on related compounds and their potential applications.