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

Table 3. Electrostatic potential charge (V ESP) for each hydrogen atom donor and acceptor in (I) participating in a close contact identified through Hirshfeld surface analysis.

Contact Electrostatic potential, V ESP (a.u.) Δ|V ESP|
  H-donor H-acceptor  
H2N⋯O1 0.1446 −0.0654 0.2100
H1O⋯S1 0.1488 −0.0607 0.2095
H1N⋯O3 0.1248 −0.0601 0.1849
H9⋯C1 0.0441 −0.0119 0.0560
H3B⋯H8 0.0066 0.0229 0.0163
C5⋯O3 0.0581 −0.0562 0.1143
H2A⋯S1 0.0239 −0.0589 0.0828
H9⋯S1 0.0219 −0.0458 0.0677