Figure 1
(a) The molecular structure of 1 illustrated showing 50% displacement ellipsoids including. All hydrogen atoms except H1b were refined by Hirshfeld atom refinement (HAR) performed by NoSpherA2 implementation in OLEX2. (b) Visualization of the calculated structure of compound 1 with Molekel 4.3 performed at the M062X/6–31+G(d) levels. |