Table 2 Prominent hydrogen bonds for 4.

From: Crystal structure, Hirshfeld surface analysis and DFT studies of 5-(adamantan-1-yl)-3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole, a potential 11β-HSD1 inhibitor

D-H…A

d (H…A)/Å

d (D…A)/Å

(D-H…A)/°

C5-H5…N21

2.41

3.353 (2)

175.6

C10-H10C…N3i

2.59

3.215 (2)

121.9

  1. Symmetry codes: (i) –x + 1, −y + 1, −z + 1.
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