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Figure 3
NCI regions showing π–π contacts observed between 2-amino­pyridine and HCT molecules. The irregular green surfaces indicate weak dispersive interactions (according to Johnson et al., 2010BB30). The figure was prepared to show the dominant orientation of 2-amino­pyridine. The wavefunction for the NCI index calculations was obtained using GAUSSIAN16 software (Frisch et al., 2016BB17) at the M052X/6-311+G(2df,2p) level of theory. Cl, S, N, O, C and H atoms are drawn in sea green, yellow, blue, red, sea green and white, respectively.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 77| Part 6| December 2021| Pages 965-973
https://doi.org/10.1107/S2052520621009914
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