| Autor: |
Ganesha, D. P., Sreenatha, N. R., Shankara, S. R., Lakshminarayana, B. N. |
| Předmět: |
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| Zdroj: |
Acta Crystallographica Section E: Crystallographic Communications; Jan2023, Vol. 79 Issue 2, p65-69, 9p |
| Abstrakt: |
In the crystal, molecules of the title compound, C10H8FIN2O3S, are connected through C--H• • •N and C--H• • •O hydrogen bonds, I• • •O halogen bonds, π-π stacking interactions between the benzene and pyrimidine rings, and edge-toedge electrostatic interactions, as shown by the analysis of the Hirshfeld surface and two-dimensional fingerprint plots, as well as intermolecular interaction energies calculated using the electron-density model at the HF/3-21 G level of theory [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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