Table 4. List of intra- and intermolecular interactions present in compounds 5c and 5d.
Motifs | D–H…A | Symmetry | Geometry | ||
---|---|---|---|---|---|
D…A/Å | H…A/ Å | ∠D–H…A/° | |||
5c [C1 > C23 –first molecule; C24 > C46 –second molecule] | |||||
I | C2-H2···O3 | x, y, z (intra) | 3.028(2) | 2.45 | 112 |
C5-H5···O2 | 2.862(2) | 2.21 | 117 | ||
C16···O4 | 2.724(2) | - | - | ||
C16···C11(π) | 3.073(2) | - | - | ||
C24-H24···O8 | 2.868(2) | 2.21 | 117 | ||
C27-H27···O9 | 3.007(2) | 2.41 | 113 | ||
C42···O10 | 2.793(2) | - | - | ||
C42···C34(π) | 3.026(2) | ||||
II | C11-H11···O12 | x, y, z | 3.739(3) | 2.66 | 175 |
C12-H12···O9 | 3.528(3) | 2.71 | 132 | ||
C23-H23C···N4 | 3.761(3) | 2.71 | 164 | ||
C17-H17A···N3 | 3.565(3) | 2.77 | 137 | ||
C34-H34···O6 | 3.535(3) | 2.51 | 157 | ||
C44-H44C···N1 | 3.672(3) | 2.61 | 168 | ||
C35-H35···C2(π) | 3.927(3) | 2.87 | 168 | ||
C12-H12···C27(π) | 4.008(3) | 2.96 | 164 | ||
III | C25-H25···O2 | -x+1/2, y-1/2, -z+1/2 | 3.393(2) | 2.31 | 178 |
C14-H14···O8 | 3.212(2) | 2.61 | 115 | ||
C12-H12···C14(π) | 3.746(2) | 2.70 | 162 | ||
IV | C23-H23A···O11 | x-1/2, -y+1/2, z-1/2 | 3.356(2) | 2.32 | 159 |
C20-H20B···O9 | 3.265(2) | 2.53 | 161 | ||
π ···π (molecular stacking) | 3.994(3) | - | - | ||
V | C23-H23B···O5 | x-1, y, z | 3.530(3) | 2.51 | 157 |
C43-H43B···N2 | 3.554(3) | 2.76 | 131 | ||
VI | C4-H4···O8 | -x-1/2, y+1/2, -z+1/2 | 3.801(2) | 2.81 | 153 |
C37-H37···O2 | 3.455(2) | 2.45 | 154 | ||
VII | C45-H45B···O11 | x+1, y, z | 3.563(2) | 2.56 | 154 |
O7···C37(π) | 3.003(2) | - | - | ||
VIII | C15-H15···O2 | -x, -y+1, -z | 3.489(3) | 2.48 | 155 |
C15-H15···C5(π) | 3.728(3) | 2.88 | 135 | ||
IX | C38-H38···O1 | x+1/2, -y+1/2, z+1/2 | 3.441(2) | 2.58 | 136 |
X | C41-H41C···O10 | -x,-y+1,-z+1 | 3.616(2) | 2.61 | 155 |
5d | |||||
I | C1-H1···O2 | x, y, z (intra) | 2.930(2) | 2.30 | 115 |
C4-H4···O3 | 3.066(2) | 2.48 | 113 | ||
II | C18-H18···F1 | x+1, y-1, z | 3.618(3) | 2.55 | 172 |
C12-H12···O3 | 4.664(3) | 2.61 | 145 | ||
III | C17-H17A···F1 | x, y+1, z | 3.295(3) | 2.47 | 133 |
IV | C17-H17B···O4 | -x+2, -y+1, -z+1 | 3.546(2) | 2.88 | 119 |
C18-H18C···O4 | 2.492(2) | 2.84 | 119 | ||
V | C17-H17A···O3 | x+1, y, z | 3.552(3) | 2.70 | 136 |
C17-H17B···O4 | 3.548(3) | 2.88 | 120 | ||
VI | C14-H14···F1 | -x+2, -y, -z+1 | 3.333(2) | 2.43 | 140 |
VII | C19-H19A···O3 | x-1, y, z | 3.782(3) | 2.80 | 152 |
C17-H17A···O3 | 3.552(3) | 2.70 | 136 | ||
π ···π (molecular stacking) | 3.632- 4.137(3) |
- | - | ||
VIII | C19-H19B···O1 | - x-1, -y+2, -z | 3.364(2) | 2.43 | 143 |
IX | C2-H2···O2 | -x, -y+1, -z | 3.377(2) | 2.33 | 162 |