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Potassium 4-azidobenzene-sulfonate.

Frank Biesemeier1, Gertraud Geiseler1, Klaus Harms1

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Acta Crystallographica. Section E, Structure Reports Online
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PubMed
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The crystal structure of potassium 4-azidobenzenesulfonate reveals a chiral anion and a chiral crystal structure. This unique arrangement results from the azido group

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crystal structure

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Area of Science:

  • Crystal Engineering
  • Inorganic Chemistry
  • Solid-State Chemistry

Background:

  • Understanding the relationship between molecular conformation and crystal packing is crucial in materials science.
  • Chirality in crystal structures can arise from chiral molecules or chiral packing arrangements.
  • Potassium 4-azidobenzenesulfonate (K(+)·SO3-p-C6H4-N3 (-)) is a compound with potential applications in materials science.

Purpose of the Study:

  • To investigate the crystal structure of potassium 4-azidobenzenesulfonate.
  • To determine the conformation of the azido group and its impact on molecular and crystal chirality.
  • To analyze the coordination environment of potassium ions and the packing of anions within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
  • Analysis of bond lengths, angles, and coordination numbers provided insights into the structural features.
  • Sohncke space group determination was used to confirm the chirality of the crystal structure.

Main Results:

  • The azido group in the anion exhibits a conformation angle of 19.1(3)° with respect to the benzene ring, rendering the anion chiral.
  • The overall crystal structure is also chiral, belonging to a Sohncke space group.
  • Potassium ions are coordinated by oxygen and nitrogen atoms from adjacent anions, forming layers perpendicular to the b-axis.

Conclusions:

  • The study demonstrates that potassium 4-azidobenzenesulfonate possesses both molecular and crystal chirality.
  • The specific conformation of the azido group dictates the chiral nature of the anion and the crystal.
  • The layered packing arrangement of anions with potassium ions situated between layers is a key structural feature.