Skip to main content
. 2021 Mar 18;22(6):3104. doi: 10.3390/ijms22063104

Table 1.

Hydrogen-bond geometry (Å, °).

Compound D–H…A D–H H…A D…A D–H…A
T2
N1–H1…N5 0.78(5) 2.26(6) 2.646(5) 111(5)
N4–H4…S3 i 0.80(4) 2.63(4) 3.416(3) 167(4)
i = 1 − x, −y, 1 − z;
T3
N1–H1…N5 0.812(18) 2.316(19) 2.6743(17) 107.5(16)
N1–H1…O27 i 0.812(18) 2.521(18) 3.1757(17) 138.7(14)
N4–H4…S3 ii 0.855(18) 2.569(18) 3.4098(12) 168.0(15)
i = 1 − x, −1/2 + y, 1/2 − z; ii = 2 − x, −y, −z;
T5
N1–H1…N5 0.76(4) 2.34(4) 2.649(3) 106(3)
N1–H1…S3 i 0.76(4) 2.86(4) 3.522(2) 146(3)
N4–H4…S3 ii 0.78(4) 2.70(4) 3.447(2) 160(4)
i = 1/2−x, −1/2 + y, 3/2−z; ii = −x, y, 2 − z;