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. 2021 Jun 11;7(6):e07213. doi: 10.1016/j.heliyon.2021.e07213

Table 1.

Selected geometric parameters of the title compound.

Bond Length(Å)
Bond Angle ()
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].