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. 2021 Jul 13;77(Pt 8):788–794. doi: 10.1107/S2056989021006666

Table 2. A summary of short inter­atomic contacts (Å) for (I) a .

Contact Distance Symmetry operation
O1—H1O⋯S1 b 2.20 x − 1, y + 1, z
N2—H2N⋯O1 b 2.19 x + 1, y − 1, z
S1⋯S1 3.35 x + 2, −y + 1, −z + 1
C11—H11A⋯S1 2.75 x + 2, −y + 1, −z + 1
C11—H11B⋯O1 2.50 x + 1, y, z
C9—H9ACg(C2–C7) 2.90 x + 2, −y + 1, −z + 1
C6—H6⋯Cg(C12–C17) 2.84 x + 1, −y + 2, −z + 1
C4—H4⋯Cg(C12–C17) 2.90 x + 1, −y + 1, −z + 1
H1O⋯H2N 2.05 x − 1, y + 1, z

Notes: (a) The inter­atomic distances are calculated in Crystal Explorer 17 (Turner et al., 2017) with the X—H bond lengths adjusted to their neutron values. (b) This contact corresponds to a conventional hydrogen bond.