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. 2025 Aug 28;12(Pt 5):595–609. doi: 10.1107/S2052252525006785

Table 3. Interaction energies of the three most common hydrogen-bonding synthons.

  Hydrogen-bond pattern
  (2) (5) (6)
Interaction energy (kJ mol−1) −38.561 −40.541 −30.069
Hydrogen-bond energy (kJ mol−1) −7.19 −8.165 −25.391
van der Waals energy (kJ mol−1) −29.337 −32.51 −3.577
Electrostatic energy (kJ mol−1) −2.035 0.133 −1.101