Table 3 Least-squares plane calculation for DIAZ1 & DIAZ2
From: Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives
Plane | m1 | m2 | m3 | D | Atom | Deviation (Å) | |
|---|---|---|---|---|---|---|---|
DIAZ1 | Molecule A | 0.301(1) | −0.116(1) | −0.946(0) | −1.683(9) | C2A* | −0.060(2) |
C3A* | 0.051(2) | ||||||
C6A* | −0.072(2) | ||||||
C7A* | 0.068(2) | ||||||
N1A | −0.668(2) | ||||||
N4A | 1.017(2) | ||||||
C5A | 1.001(2) | ||||||
Molecule B | −0.993(0) | −0.111(1) | −0.040(2) | −0.234(8) | C2B* | −0.038(2) | |
C3B* | 0.039(2) | ||||||
C6B* | −0.047(3) | ||||||
C7B* | 0.037(2) | ||||||
N1B | −0.672(2) | ||||||
N4B | 1.062(2) | ||||||
C5B | 1.090(3) | ||||||
DIAZ2 | Molecule A | −0.231(1) | 0.771(1) | −0.593(1) | 4.401(1) | C2A* | 0.063(2) |
C3A* | −0.063(2) | ||||||
C6A* | 0.069(2) | ||||||
C7A* | −0.067(2) | ||||||
N1A | 0.391(2) | ||||||
N4A | 1.077(2) | ||||||
C5A | 1.240(2) | ||||||
Molecule B | 0.223(1) | −0.781(1) | −0.583(2) | −14.533(2) | C2B* | −0.021(3) | |
C3B* | 0.025(4) | ||||||
C6B* | −0.025(3) | ||||||
C7B* | 0.018(3) | ||||||
N1B | −0.403(2) | ||||||
N4B | −1.075(3) | ||||||
C5B | −1.173(3) |