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. 2020 Oct 6;10(60):36806–36817. doi: 10.1039/d0ra07215j

Topological parameters for intermolecular interactions in dimers of 2 (major disordered component) [values of V(r), G(r) and H(r) are expressed in kJ mol−1 bohr−3 and De = −0.5 × V(r) in kcal mol−1].

Interaction R ij (Å) ρ(r) (e Å−3) 2ρ(r) (e Å−5) V(r) G(r) H(r) graphic file with name d0ra07215j-t4.jpg D e
D1
N1–H1⋯O6 1.742 0.301 2.767 −120.0 97.7 −22.3 1.23 14.4
D2
C12A–H121⋯N2 2.736 0.046 0.596 −9.1 12.7 3.6 0.72 1.1
D4
C8–H83⋯O4 2.710 0.041 0.513 −8.5 11.2 2.7 0.76 1.0
D5
C8–H81⋯N2 2.476 0.064 0.841 −13.3 18.1 4.8 0.74 1.6