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Table 4 Hydrogen-bond geometry (Å, °)

From: Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives

  D-H…A d(D-H) d(H…A) d(D…A) <(DHA)
DIAZ1 N4B-H4B…O1Ai 0.86 2.13 2.985(2) 171
  N4A-H4A…O1Bi 0.86 2.15 2.913(2) 147
DIAZ2 N4A-H4A…O1Aii 0.86 2.14 2.978(3) 166
  N4B-H4B…O1Biii 0.86 2.03 2.890(4) 178
  C9A-H9A…O2Biii 0.93 2.49 3.235(5) 138
  C9B-H9B…O2Aiv 0.93 2.50 3.387(4) 160
  1. Symmetry equivalent positions:
  2. i-x,1-y,-z
  3. ii1-x,-y,2-z
  4. iii-x,1-y,1-z
  5. iv1-x,-y,1-z