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. 2020 May 29;76(Pt 6):933–939. doi: 10.1107/S2056989020006829

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

Contact Distance ΣvdW Δ|(d norm −ΣvdW)| Symmetry operation
H2N⋯O1b 1.92 2.61 0.69 1 − x, −y, 2 − z
H1O⋯S1b 2.21 2.89 0.68 1 + x, y, z
H1N⋯O3b 2.17 2.61 0.44 1 − x, −y, 1 − z
H3B⋯H8 2.08 2.18 0.10 x, y, 1 + z
H9⋯C1 2.60 2.79 0.19 1 − x, 1 − y, 1 − z
C5⋯O3 3.17 3.22 0.05 1 − x, − y, 1 − z
H2A⋯S1 2.87 2.89 0.02 1 − x, 1 − y, 2 − z
H9⋯S1 2.89 2.89 0.00 1 − x, 1 − y, 1 − z

Notes: (a) The inter­atomic distances are calculated in Crystal Explorer 17 (Turner et al., 2017) whereby the X—H bond lengths are adjusted to their neutron values; (b) these inter­actions correspond to conventional hydrogen bonds.