Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-N-[4-(methyl­sulfan­yl)phen­yl]acetamide

Mongkholkeaw, S.; Songsasen, A.; Duangthongyou, T.; Chainok, K.; Suramitr, S.; Wattanathana, W.; Wannalerse, B.

doi:10.1107/S2056989020002960

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 6
The molecular orbitals (MO) regarding information of the absorption spectrum of the title compound at the S₀→S₁ and S₀→S₂ states calculated by the CAM-B3LYP/6–311 G(d,p) method.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 76| Part 4| April 2020| Pages 594-598

https://doi.org/10.1107/S2056989020002960

Open

access

Follow Acta Cryst. E

Search IUCr Journals		doi		Advanced search
Author		volume	page