Crystal structure and DFT computational studies of (E)-2,4-di-tert-butyl-6-{[3-(tri­fluoro­meth­yl)benz­yl]imino­meth­yl}phenol

Kan Kaynar, N.; Tanak, H.; Macit, M.; Özdemir, N.

doi:10.1107/S205698902000537X

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 1
(a) The molecular structure of the title compound, showing the atom-numbering scheme and 20% probability displacement ellipsoids and (b) the optimized molecular structure of the title compound generated at the DFT/B3LYP/LanL2DZ level.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 76| Part 5| May 2020| Pages 732-735

https://doi.org/10.1107/S205698902000537X

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