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. 2020 Jul 15;25(14):3232. doi: 10.3390/molecules25143232

Table 2.

Lattice energies (LE, in kcal·mol−1) of 32 crystals composed of ammine and various nitrogen heterocycles. Cambridge Crystallographic Data Centre (CCDC) number of the crystal structures, as well as the chemical structures of the constituent molecules are provided.

Label CCDC No. Structure LE Label CCDC No. Structure LE
c1 1644462 NH3 13.01 c17 1272845 graphic file with name molecules-25-03232-i063.jpg 24.35
c2 725244 graphic file with name molecules-25-03232-i064.jpg 12.83 c18 1272852 graphic file with name molecules-25-03232-i065.jpg 24.49
c3 1177301 graphic file with name molecules-25-03232-i066.jpg 12.50 c19 1214795 graphic file with name molecules-25-03232-i067.jpg 24.53
c4 1166481 graphic file with name molecules-25-03232-i068.jpg 17.52 c20 125117 graphic file with name molecules-25-03232-i069.jpg 24.73
c5 1142965 graphic file with name molecules-25-03232-i070.jpg 18.28 c21 1255528 graphic file with name molecules-25-03232-i071.jpg 25.17
c6 213311 graphic file with name molecules-25-03232-i072.jpg 18.97 c22 1910475 graphic file with name molecules-25-03232-i073.jpg 25.22
c7 201615 graphic file with name molecules-25-03232-i074.jpg 19.78 c23 1105564 graphic file with name molecules-25-03232-i075.jpg 25.50
c8 171054 graphic file with name molecules-25-03232-i076.jpg 19.91 c24 1136625 graphic file with name molecules-25-03232-i077.jpg 26.26
c9 258373 graphic file with name molecules-25-03232-i078.jpg 20.27 c25 166510 graphic file with name molecules-25-03232-i079.jpg 27.22
c10 667816 graphic file with name molecules-25-03232-i080.jpg 20.40 c26 938305 graphic file with name molecules-25-03232-i081.jpg 28.93
c11 258373 graphic file with name molecules-25-03232-i082.jpg 20.49 c27 910889 graphic file with name molecules-25-03232-i083.jpg 29.28
c12 225824 graphic file with name molecules-25-03232-i084.jpg 20.65 c28 1266837 graphic file with name molecules-25-03232-i085.jpg 30.17
c13 227799 graphic file with name molecules-25-03232-i086.jpg 21.32 c29 1270764 graphic file with name molecules-25-03232-i087.jpg 30.22
c14 225823 graphic file with name molecules-25-03232-i088.jpg 21.48 c30 273637 graphic file with name molecules-25-03232-i089.jpg 31.14
c15 947035 graphic file with name molecules-25-03232-i090.jpg 22.32 c31 1135164 graphic file with name molecules-25-03232-i091.jpg 32.58
c16 1272856 graphic file with name molecules-25-03232-i092.jpg 24.13 c32 938305 graphic file with name molecules-25-03232-i093.jpg 32.67