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Table 2 Asymmetry parameters and torsion angles for diazepine ring

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

   DIAZ1 DIAZ2
   Mol. A Mol. B Mol. A Mol. B
Asymmetry parameters q2 (Å) 0.387(2) 0.430(2) 1.054(2) 1.017(4)
  q3 (Å) 0.679(2) 0.700(2) 0.141(2) 0.128(3)
  ϕ2 (°) 17.4(3) −172.7(3) 171.0(1) 176.2(2)
  ϕ3 (°) 176.5(2) −4.3(2) −1.9(1) −8.5(4)
  Q (Å) 0.781(2) 0.821(2) 1.063(2) 1.025(3)
Torsion angles(°) C7-N1-C2-C3 65.2(2) −66.9(2) 35.5(3) 41.2(4)
  N1-C2-C3-N4 −68.7(2) 73.4(2) 47.9(2) 39.1(4)
  C2-C3-N4-C5 64.9(3) −64.5(3) −74.4(3) −72.1(5)
  C3-N4-C5-C6 −7.6(3) 0.1(3) −6.8(3) −2.0(5)
  N4-C5-C6-C7 −59.7(2) 66.5(2) 72.1(3) 70.1(4)
  C5-C6-C7-N1 86.3(2) −86.3(2) −30.4(3) −34.4(4)
  C6-C7-N1-C2 −76.1(2) 74.1(2) −48.1(3) −45.8(4)