Synthesis, crystal structure determination, Hirshfeld surface and crystal void analyses, inter­action energy calculations and energy frameworks of (3aRS,4RS,9aRS)-2-benzyl-3-oxo-2,3,3a,4,9,9a-hexa­hydro-1H-benzo[f]iso­indole-4-carb­oxy­lic acid

Alekseeva, K.A.; Hökelek, T.; Khrustalev, V.N.; Kolomeytsev, M.Y.; Pronina, A.A.; Belay, A.N.; Hasanov, K.I.

doi:10.1107/S2056989026005189

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 6
View of the three-dimensional Hirshfeld surface of the title compound plotted over the electrostatic potential in the range of −0.0500 to 0.0500 a.u. using the STO-3 G basis set at the Hartree–Fock level of theory. Hydrogen-bond donors and acceptors are shown as blue and red regions around the atoms, corresponding to positive and negative potentials, respectively.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 82| Part 6| June 2026| Pages 722-727

https://doi.org/10.1107/S2056989026005189

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