Journal of Crystallography / 2014 / Article / Tab 2

Research Article

Synthesis and Molecular Structure of tert-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate

Table 2

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

O1–C21.475(3)O1–C31.353(3)
O2–C31.203(3)O3–C71.216(3)
O4–C71.3461(18)O4–C81.479(3)
N1–C11.471(3)N1–C41.464(2)
N1–C71.360(3) C1–C21.520(3)
C2–C51.524(3)C3–C41.526(3)
C4–C61.531(3)C5–C6 1.548(3)
C8–C91.519(3) C8–C101.516(3)
C8–C111.524(3)

C2–O1–C3112.77(16)C7–O4–C8121.03(14)
C1–N1–C4114.75(15)C1–N1–C7124.37(13)
C4–N1–C7120.84(14)N1–C1–C2105.57(12)
O1–C2–C1107.49(13)O1–C2–C5108.06(13)
C1–C2–C5112.44(18) O1–C3–O2 120.66(19)
O1–C3–C4112.23(15)O2–C3–C4127.08(17)
N1–C4–C3107.03(14)N1–C4–C6109.67(14)
C3–C4–C6106.59(16)C2–C5–C6108.73(14)
C4–C6–C5107.62(13)O3–C7–O4126.41(18)
O3–C7–N1124.16(15)O4–C7–N1109.43(15)
O4–C8–C9109.35(13)O4–C8–C10111.30(16)
O4–C8–C11102.20(15)C9–C8–C10111.35(16)
C9–C8–C11111.06(16)C10–C8–C11111.23(13)

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