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. 2013 Oct 1;1(Pt 1):8–18. doi: 10.1107/S2052252513024421

Table 3. Numerical (top) and graphical (bottom) comparison of the topological parameters, SBFA and theory (italics), of form II .

Synthon ρ (e Å−3) 2ρ (e Å−5) R ij (Å) G (kJ mol−1 bohr−3) V(kJ mol−1 bohr−3) |V|/G
O2—H2⋯N1 0.34 2.5 1.738 0.05 97.24 −127.61 1.31
0.41 0.8 1.734 0.03 84.77 147.80 1.74
O1—H1⋯N2 0.31 2.4 1.7663 0.06 85.87 −107.93 1.26
0.36 1.5 1.7666 0.04 83.58 125.43 1.50
C9—H9⋯O1 0.05 0.8 2.5076 0.21 16.64 −10.98 0.66
0.05 0.7 2.4816 0.19 15.02 −10.68 0.71
C20—H20⋯O2 0.03 0.6 2.6806 0.44 11.30 −7.16 0.63
0.03 0.6 2.6167 0.21 12.12 −7.98 0.66
C11—H11⋯C6 0.04 0.8 2.5472 0.97 16.42 −10.58 0.64
0.08 0.5 2.5301 0.08 14.02 −13.24 0.94
C4—H4⋯N1 0.04 0.5 2.7078 0.44 9.45 −6.65 0.70
0.04 0.5 2.6603 0.11 14.71 −9.92 0.67
C8—H8⋯N3 0.03 0.6 2.6795 1.18 12.15 −7.66 0.63
0.03 0.6 2.633 0.01 11.66 −8.69 0.75