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) | |