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. 2022 Dec 15;12(55):35860–35872. doi: 10.1039/d2ra07080d

Geometric features (distances in Å and angles in °) of the C–H⋯π interactions observed for both complexesa.

Complex C–H⋯Cg (ring) H⋯Cg (Å) C–H⋯Cg (°) C⋯Cg (Å) Symmetry
1 C(49)–H(49A)⋯Cg(15) 2.88 164 3.816(16) 1/2 + x, −1/2 + y, 3/2 − z
2 C(1)–H(1B)⋯Cg(4) 2.99 141 3.784(16) 1/2 + x, −1/2 + y, 3/2 − z
C(19)–H(19B)⋯Cg(3) 2.90 161 3.815(16) 1/2 + x, −1/2 + y, 3/2 − z
a

[Cg(7) = centre of gravity of the ring [C(3)–C(4)–C(5)–C(6)–C(7)–C(8)]; Cg(15) = centre of gravity of the ring [C(26)–C(27)–C(28)–C(29)–C(30)–C(31)]; Cg(16) = centre of gravity of the ring [C(39)–C(40)–C(41)–C(42)–C(43)–C(44)].