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. 2021 Aug 10;6(33):21485–21490. doi: 10.1021/acsomega.1c02296

Table 1. Characteristics of Hydrogen Bonds in Crystal Structures of IIVa.

bond C–H···A Nb d(C···A) (Å) d(C–H) (Å) d(H···A) (Å) angle (C–H···A) (deg) Ω(H···A) (%)
C10H18Br3NO8U, I
C–H···Br 2 3.732–3.917 0.97 2.82–2.99 157.3–158.9 15.53–16.32
C–H···O 9 3.392–3.808 0.96–0.97 2.55–2.93 137.7–154.8 10.27–15.30
C8H16Br2N2NpO9, II
C–H···O 8 3.251–3.826 0.96–0.97 2.41–2.92 131.6–159.5 11.21–15.75
C8H16Br2N2O9Pu, III
C–H···O 7 3.267–3.753 0.96–0.97 2.37–2.87 148.0–164.3 10.41–17.42
C6H14BrN3NpO10, IV
C–H···O 8 3.173–3.683 0.96–0.97 2.40–2.77 137.4–164.0 10.01–17.04
a

Allowance was made for contacts with C–H···A angle > 130°, d(H···A) < 3 Å, and Ω(H···A) > 10%.

b

N is the number of contacts of a specified type.