Skip to main content
. 2020 May 19;76(Pt 6):870–876. doi: 10.1107/S2056989020006568

Table 3. A summary of inter­action energies (kJ mol−1) calculated for (I).

Contact E ele E pol E dis E rep E tot Symmetry operation
N2—H2N⋯O2 +            
C14—H14⋯O1 +            
Cl1⋯π(N1,C1–C5) −39.1 −6.6 −21.6 28.7 −38.7 1 − x, 1 − y, 1 − z
O3—H3O⋯N1 −102.5 −17.5 −10.2 82.2 −48.0 −1 + x, y, z
C1—H1⋯O1 (×2) −22.0 −3.4 −16.1 16.9 −24.6 2 − x, 1 − y, −z
C6—H6A⋯O3 −7.7 −0.9 −18.3 11.2 −15.8 x, y, z
C12—H12⋯O1+            
C4—H4⋯C11 −12.9 −1.6 −31.0 21.6 −24.0 1 + x, 1 + y, 1 + z
C10⋯C10 −2.4 −0.4 −26.0 13.7 −15.0 2 − x, 2 − y, 1 − z