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. 2020 May 4;5(19):11115–11122. doi: 10.1021/acsomega.0c01048

Table 2. Hydrogen Bonds Present in BTTFO·H2O.

D_H···A d(D–H)/Å d(H···A)/Å d(D–H···A)/Å ∠(D-H···A)/°
N11–H11···N25iia 0.96(4) 1.96(4) 2.89(4) 162.7(3)
N15–H15···N3iva 0.89(2) 2.11(2) 2.942(4) 154.9(3)
O14–H14A···N24viia 0.80(6) 2.19(6) 2.98(5) 170.1(6)
N1–H1···O14viiia 0.91(4) 1.74(4) 2.63(5) 165.9(4)
O13–H13A···N2ivb 0.72(5) 2.40(5) 3.00(4) 142.7(5)
O13–H13B···N17ixb 0.89(6) 2.41(6) 3.03(5) 126.7(5)
O13–H13B···O10vb 0.89(6) 2.14(6) 2.96(4) 152.2(5)
N23–H23···O13xb 0.88(5) 1.78(5) 2.64(4) 165.9(5)
a

Hydrogen-bonding interactions within the dimeric structure.

b

Hydrogen-bonding interactions between BTTFO and H2O. Symmetry operators: ii = 1 – x,0.5 + y, 0.5 – z; vii = x, 1 + y, z; viii = 1 – x, −0.5 + y, 0.5 – z; ix = 1 + x, y, z; x = −0.5 + x, −0.5 – y, −z.