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. 2020 Jun 2;10(35):20837–20851. doi: 10.1039/d0ra02501a

Selected bond lengths (Å), bond and torsion angles (°) for the title compound.

Parameters X-ray analysis
The bond lengths (Å)
S1–C1 1.6632 (17)
O1–C2 1.2217 (19)
N1–C1 1.3919 (19)
N1–C2 1.376 (2)
N2–C1 1.376 (2), 1.4085 (18), 1.3229 (17)
N2–C9 1.388 (2), 1.3601 (18)
N3–C15 1.3710 (18)
N3–C21
N4–C15
N4–C16
The bond angles (°)
O1–C2–N1 122.12 (14)
O1–C2–C3 121.74 (15)
N1–C2–C3 116.14 (14)
N1–C1–S1 118.26 (12)
N2–C1–S1 127.94 (12)
N1–C1–N2 113.79 (14)
C2–N1–C1 129.09 (14)
C15–N3–C21 104.97 (12)
C15–N4–C16 107.46 (12)
N2–C9–C10 126.12 (13)
N2–C9–C14 114.97 (13)
N3–C15–N4 112.49 (12)
C12–C15–N3 124.71 (13)
C12–C15–N4 122.79 (12)
The torsion angles (°)
C4–C3–C2–N1 17.0 (2)
C4–C3–C2–O1 −163.18 (17)
C8–C3–C2–N1 −163.93 (16)
C8–C3–C2–O1 15.9 (2)
C2–N1–C1–N2 3.9 (2)
S1–C1–N1–C2 −175.18 (14)
S1–C1–N2–C9 0.4 (3)
C1–N2–C9–C10 −11.8 (3)
C1–N2–C9–C14 170.60 (17)
C11–C12–C15–N4 −7.0 (2)
C13–C12–C15–N3 −7.8 (2)
C13–C12–C15–N4 173.16 (15)