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. 2019 Mar 26;75(Pt 4):475–481. doi: 10.1107/S205698901900375X

Table 2. Inter­action energies (kJ mol−1) for selected close contacts.

Contact E electrostatic E polarization E dispersion E exchange-repulsion E total Symmetry operation
O2—H2⋯O3/O4—H4O⋯O1 −123.7 −28.0 −13.0 145.1 −73.2 x, y, z
O6—H6O⋯O7/C22—H22⋯O5 −82.4 −19.2 −11.4 105.7 −45.9 x, y, z
Cg1(C9/C14)⋯Cg2(C2/C7)/C6—H16⋯Cl1 −4.1 −1.7 −41.9 30.3 −23.4 1 − x, 1 − y, − z
Cg3(C1O1O2⋯C8O3O4)⋯Cg2(C2/C7) −1.0 −1.8 −30.7 21.6 −15.9 1 − x, − y, − z
C11—H11⋯S1/C11—H11⋯O3 −11.6 −2.2 −15.0 21.3 −13.8 −1 + x, y, z
C24—H24C⋯S2/C24—H24C⋯O5 −10.3 −2.5 −14.3 19.5 −13.2 1 − x, − y, 1 − z
C10—H10⋯O2/C3—H3⋯O4 −2.4 −1.1 −14.5 15.4 −6.5 −x, −y, 1 − z