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which, according to Jeffrey’s [18] classification, could
be characterized as “weak, electrostatic.”
However, the presence of weak hydrogen bonds
(Table 4) resulted in the presence of three independent
molecules in the crystal structures of Arimistane and
Arimistane-d7. In the crystal of Arimistane, the
complex hydrogen bond system (Fig. 4a) was based on
nearly planar sheets, parallel to the (100) plane
(Fig. 4b). The shortest D–A distances of 3.518(3) and
3.620(3) Å corresponded to the weak hydrogen bonds
C6A‒H6A···O2 inside sheets and C16B‒H16E···O2B
between sheets, accordingly. The crystal structure of
Arimistane-d7 had the same hydrogen bonding system,
which gave grounds to assume the same absolute
configuration.
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We have synthesized deuterated Arimistane and
completely proved its structure by NMR spectroscopy
and X-ray diffraction.
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