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. 2021 Sep 16;11(49):30841–30848. doi: 10.1039/d1ra04337d

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)