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) |