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. 2020 Feb 18;76(Pt 3):410–416. doi: 10.1107/S2056989020001644

Table 6. Summary of inter­atomic contacts (Å)a, shorter than the sum of the van der Waals radii, in the crystal structures of I and II .

Contact Length Length − vdW Symmetry operation
I      
C11⋯C12 3.278 −0.122 Inline graphic − x, −Inline graphic − y, −Inline graphic − z
C12⋯H11A 2.805 −0.095 Inline graphic − x, −Inline graphic − y, −Inline graphic − z
I1⋯H17 3.087 −0.093 Inline graphic + x, −y, z
N3⋯H11B 2.671 −0.079 Inline graphic − x, −Inline graphic − y, −Inline graphic − z
N3⋯C11 3.234 −0.016 Inline graphic − x, −Inline graphic − y, −Inline graphic − z
       
II      
Cl4⋯Cl4 3.045 −0.455 -x, −y, 2 − z
C6⋯H40B 2.758 −0.142 -x, −y, 1 − z
C30⋯H3B 2.779 −0.121 1 − x, −y, 1 − z
H23B⋯H23B 2.287 −0.113 1 − x, 1 − y, 1 − z
H6⋯C36 2.798 −0.102 −1 + x, −1 + y, z
Cl1⋯H33 2.854 −0.096 −1 + x, y, z
H6⋯C37 2.858 −0.042 −1 + x, −1 + y, z
H3B⋯H30A 2.359 −0.041 1 − x, −y, 1 − z
H10B⋯H26 2.382 −0.018 1 − x, 1 − y, 1 − z

Note: (a) distances were calculated using Mercury (Macrae et al., 2008).