Table 2. Hydrogen-bond geometry (Å, °) for 1.
| D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A |
|---|---|---|---|---|
| O3_1—H3OB_1⋯O1_1i | 0.81 (2) | 2.11 (4) | 2.824 (5) | 147 (6) |
| O3_1—H3OA_1⋯O4_1i | 0.81 (2) | 2.21 (4) | 2.879 (5) | 141 (6) |
| O6_1—H6OA_1⋯O1_5 | 0.80 (2) | 2.00 (2) | 2.796 (6) | 172 (6) |
| O6_1—H6OB_1⋯O4_5ii | 0.80 (2) | 1.94 (2) | 2.728 (6) | 166 (7) |
| O3_2—H3OA_2⋯O2_5iii | 0.78* | 2.01* | 2.786 (6)* | 173* |
| O3_2—H3OB_2⋯O3_5iv | 0.88* | 1.87* | 2.733 (6)* | 167* |
| O6_2—H6OB_2⋯O2_2ii | 0.81 (2) | 2.13 (4) | 2.837 (5) | 145 (6) |
| O6_2—H6OA_2⋯O5_2ii | 0.81 (2) | 2.18 (4) | 2.876 (5) | 145 (6) |
| O3_3—H3OA_3⋯O4_5 | 0.78 (5) | 2.07 (5) | 2.842 (6) | 173 (9) |
| O3_3—H3OB_3⋯O1_5ii | 0.78 (5) | 1.99 (5) | 2.766 (6) | 173 (8) |
| O3_4—H3OB_4⋯O3_5 | 0.81 (2) | 2.05 (2) | 2.842 (6) | 168 (8) |
| O3_4—H3OA_4⋯O2_5iii | 0.81 (2) | 1.97 (2) | 2.769 (6) | 171 (8) |
| O1_5—H1OA_5⋯O2_3v | 0.81 (2) | 2.05 (3) | 2.835 (6) | 161 (6) |
| O1_5—H1OB_5⋯O1_3ii | 0.81 (2) | 2.31 (5) | 2.943 (6) | 135 (6) |
| O2_5—H2OB_5⋯O1_4vi | 0.81 (2) | 2.34 (5) | 2.965 (6) | 135 (6) |
| O2_5—H2OA_5⋯O2_4 | 0.81 (2) | 2.09 (4) | 2.845 (6) | 154 (6) |
| O3_5—H3OA_5⋯O4_2 | 0.81 (2) | 2.16 (5) | 2.823 (6) | 139 (6) |
| O3_5—H3OB_5⋯O1_2 | 0.81 (2) | 2.12 (4) | 2.848 (6) | 150 (6) |
| O4_5—H4OA_5⋯O2_1ii | 0.82 (2) | 2.09 (4) | 2.835 (6) | 152 (8) |
| O4_5—H4OB_5⋯O5_1ii | 0.81 (2) | 2.10 (5) | 2.823 (6) | 147 (8) |
Symmetry codes: (i)
; (ii)
; (iii)
,
; (iv)
; (v)
; (vi)
. Note: (*) these H atoms were initially placed via the difference map. They were refined using fixed positions, as otherwise H3OB_2 would refine to an unrealistic position.