Bond lengths and angles in the X-ray structure of zwitterion 7a.
Bond | Bond length Å | Bond order | Angle | Angle value, ° |
---|---|---|---|---|
C5–N1 | 1.326(4) | 1.851 | N1C5N4 | 105.7(3) |
C5–N4 | 1.352(4) | 1.701 | C1N1C2 | 109.7(3) |
C3–N4 | 1.378(4) | 1.552 | C5N1N2C3 | 0.4(4) |
C3–N2 | 1.303(4) | 1.983 | N1N2C3N4 | −1.4(4) |
N1–N2 | 1.374(4) | 1.385 | N4C5N1C6 | 176.4(3) |
N4–C23 | 1.448(4) | 1.149 | C5N4C23C24 | −77.0(4) |
N1–C6 | 1.509(4) | 0.851 | N2C3C17C22 | −38.5(5) |
C3–C17 | 1.460(5) | 1.376 | — | — |
C5–C10 | 1.493(4) | 1.208 | — | — |
S13–O14 | 1.460(3) | — | — | — |