Table 1.
Selected geometric parameters of the title compound.
Bond Length(Å) |
Bond Angle (ᵒ) |
||||
---|---|---|---|---|---|
Atoms | Theoretical | Experimental∗ | Atoms | Theoretical | Experimental∗ |
C1–C2 | 1.370 | 1.374 | C2–C1–C10 | 119.8 | 120.74 |
C1–C10 | 1.421 | 1.424 | C1–C2–C3 | 121.6 | 120.06 |
C2–C3 | 1.415 | 1.414 | C1–C10–C5 | 119.5 | 119.33 |
C3–C4 | 1.372 | 1.375 | C1–C10–C9 | 122.1 | 121.97 |
C4–C5 | 1.422 | 1.426 | C2–C3–C4 | 119.5 | 120.52 |
C5–C6 | 1.411 | 1.419 | C3–C4–C5 | 121.3 | 120.72 |
C5–C10 | 1.431 | 1.423 | C4–C5–C6 | 122.2 | 121.59 |
C6–C7 | 1.381 | 1.378 | C4–C5–C10 | 118.4 | 118.62 |
C7–C8 | 1.418 | 1.422 | C6–C5–C10 | 119.4 | 119.79 |
C7–O11 | 1.365 | 1.427 | C5–C6–C7 | 120.8 | 119.53 |
C8–C9 | 1.376 | 1.364 | C5–C10–C9 | 118.3 | 118.69 |
C9–C10 | 1.415 | 1.426 | C6–C7–C8 | 120 | 120.8 |
O11–C12 | 1.422 | 1.425 | C6–C7–O11 | 116.4 | 114.01 |
C2–Br13 | 1.920 | - | C8–C7–O11 | 123.6 | 125.18 |
C7–C8–C9 | 120 | 120.35 | |||
C7–O11–C12 | 119.1 | 117.22 | |||
C8–C9–C10 | 121.4 | 120.72 | |||
C1–C2–Br13 | 119.9 | - | |||
C3–C2–Br13 | 118.5 | - |
Taken from Ref [27].