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. 2021 Jan 22;77(Pt 1):83–92. doi: 10.1107/S2052520620015929

Table 2. Hydrogen bonds in the basic structure.

The acceptor molecules are related to the donor molecule by the given symmetry operations. Since the positions of the H atoms were not refined, no esds are given.

D—H⋯A Acceptor symmetry Occ. D⋯H (Å) H⋯A (Å) DA (Å) D—H⋯A (°)
Inside I half-layer
O3—H⋯O5 t(½, −½, 0) ½ 0.88 1.86 2.7316 (11) 169
O3—H⋯O6 t(0,−1,0) ½ 0.84 2.12 2.9274 (9) 163
O4—H⋯O6 t(0, −1, 0) ½ 0.88 2.04 2.9029 (10) 171
O5—H⋯O3 t(−½, ½, 0) ½ 0.86 2.08 2.7316 (11) 132
O6—H⋯O2 t(−½, ½, 0) 1 0.87 2.20 3.0030 (10) 154
Across I half-layers
O4—H⋯O4 2 0, y, ½ ½ 0.85 1.98 2.8111 (11) 165
O5—H⋯O5 2 0, y, ½ ½ 0.86 1.82 2.6816 (11) 175