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. 2018 Jun 29;8(42):23698–23710. doi: 10.1039/c8ra03042a

The hydrogen bond (NH⋯O) lengths [Å] (first row) and values of Laplacian (second row) at H-BCP and EHB [kJ mol−1] (third row).

Complex trans cis
H⋯O10 H⋯O11 H⋯O10 H⋯O11
2+a 1.865 1.866 1.880 1.886
0.0937 0.0933 0.0907 0.0897
−31.7 −31.5 −30.2 −29.8
2+b 1.869 1.855 1.879 1.867
0.0926 0.0955 0.0914 0.0937
−31.4 −32.7 −30.7 −31.6
2+c 1.852 1.847 1.870 1.860
0.0956 0.0967 0.0925 0.0946
−32.9 −33.3 −31.4 −32.1
2+d 1.833 1.841 1.847 1.854
0.0992 0.0976 0.0962 0.0970
−34.8 −33.9 −33.2 −33.3
2+e 1.830 1.817 1.836 1.832
0.0994 0.1022 0.0980 0.0997
−35.1 −36.4 −34.2 −34.9
2+f 1.791 1.800 1.806 1.801
0.1058 0.1064 0.1035 0.1050
−38.8 −38.9 −37.4 −37.9
1+f 1.721a 1.922
0.0881 0.0853
−56.5 −26.8
a

N⋯HO hydrogen bond.