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Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
4,4'-Di-3-pyridyl-2,2'-dithio-dipyrimidine
Jun-Feng Ji1, Lei Li, Hai-Bin Zhu
1School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, People's Republic of China.
Summary
This study details the crystal structure of C(18)H(12)N(6)S(2), revealing a molecule with a specific C-S-S-C torsion angle and no significant intermolecular contacts in its packing arrangement.
Area of Science:
- Crystallography
- Solid-state chemistry
- Organic chemistry
Background:
- Understanding molecular geometry and crystal packing is crucial for predicting material properties.
- Sulfur-containing organic compounds exhibit diverse structural motifs and potential applications.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(18)H(12)N(6)S(2).
- To analyze the molecular geometry, focusing on the C-S-S-C torsion angle.
- To investigate the intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- The crystallographic data were analyzed to identify symmetry elements and bond parameters.
- Crystal packing was examined for significant intermolecular contacts.
Main Results:
- The asymmetric unit contains a half-molecule of C(18)H(12)N(6)S(2) located on a twofold rotational axis.
- The C-S-S-C torsion angle was determined to be 81.33(7)°.
- No short intermolecular contacts were observed in the crystal packing.
Conclusions:
- The crystal structure of C(18)H(12)N(6)S(2) has been successfully determined.
- The molecule possesses a specific conformation defined by the C-S-S-C torsion angle.
- The compound exhibits a crystal structure with minimal intermolecular interactions.
