Table 1.
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; |