Table 2.
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 |