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. 2022 Jun 12;27(12):3781. doi: 10.3390/molecules27123781

Table 2.

Hydrogen bond geometry (Å, °) for Do4OH, Do5OH, Do6OH I and Do6OH II.

D−H∙∙∙A d(D—H) d(H⋅⋅⋅A) d(D⋅⋅⋅A) ∠(D—H⋅⋅⋅A) Symmetry code
Do4OH
O1—H1···O3 0.976(3) 1.678(3) 2.648(3) 172(2) -x+1,+y-1/2,-z+1/2
O3—H3A···O1 0.946(3) 1.708(3) 2.653(2) 176(3) x,+y+1,+z
Do5OH
O1—H1···O1 0.883(2) 1.850(2) 2.710(1) 164(2) -x+1/2,+y-1/2,+z
Do6OH I
O3—H3A···O1 0.875(2) 1.802(2) 2.669(1) 170(2) x,+y,+z-1
O1—H1···O3 0.884(2) 1.813(2) 2.687(1) 169(2) x,-y+1/2,+z+1/2
Do6OH II
O3—H1···O1 0.880(2) 1.790(2) 2.658(1) 168(2) x-1/2,+y,-z+1/2+1