Crystal structure, Hirshfeld surface analysis and inter­action energy and DFT studies of 4-[(prop-2-en-1-yl­oxy)meth­yl]-3,6-bis­(pyridin-2-yl)pyridazine

Filali, M.; Sebbar, N.K.; Hökelek, T.; Mague, J.T.; Chakroune, S.; Ben-Tama, A.; El Hadrami, E.M.

doi:10.1107/S2056989019011186

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

IUCr IT WDC

home archive editors for authors for readers submit open access

view article

Figure 5
View of the three-dimensional Hirshfeld surface of the title compound plotted over electrostatic potential energy in the range −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, respectively, around the atoms, corresponding to positive and negative potentials.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 75| Part 9| September 2019| Pages 1321-1326

https://doi.org/10.1107/S2056989019011186

Open

access

Follow Acta Cryst. E

Search IUCr Journals		doi		Advanced search
Author		volume	page