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Table 2 Selected bond parameters in 1-6

From: Importance of halide involving interactions at Hoogsteen sites in supramolecular architectures of some coordination metal complexes of N6-benzyl/furfuryl adenine

COMPLEX D-H…A D-H (Å) H…A (Å) D…A (Å) D-H…A (°) Symmetry operation
1 N(6B)-H(6B)…Cl(7) 0.86 2.49 3.337(3) 169 x,1-y,1/2 + z
  N(6C)-H(6C)…Cl(9) 0.86 2.52 3.372(3) 169  
  N(6D)-H(6D)…Cl(7) 0.86 2.52 3.366(3) 168  
  N(7B)-H(7B)…Cl(7) 0.86 2.25 3.075(3) 161 x,1-y,1/2 + z
  N(7C)-H(7C)…Cl(9) 0.86 2.29 3.120(3) 161  
  N(7D)-H(7D)…Cl(7) 0.86 2.24 3.067(3) 161  
2 N(6B)-H(6B)…Cl(9) 0.86 2.48 3.330(3) 169  
  N(6C)-H(6C)…Cl(9) 0.86 2.51 3.358(3) 168 x,1-y,-1/2 + z
  N(6D)-H(6D)…Cl(7) 0.86 2.50 3.351(3) 169 1/2 + x,-1/2 + y,z
  N(7B)-H(7B)…Cl(9) 0.86 2.26 3.087(3) 161  
  N(7C)-H(7C)…Cl(9) 0.86 2.26 3.086(3) 161 x,1-y,-1/2 + z
  N(7D)-H(7D)…Cl(7) 0.86 2.32 3.137(3) 159 1/2 + x,-1/2 + y,z
3 N(6A)-H(6A)…Cl(2) 0.86 2.50 3.345(5) 168  
  N(6B)-H(6B)…Cl(1) 0.86 2.50 3.346(4) 169  
  N(6C)-H(6C)…Cl(1) 0.86 2.51 3.352(5) 169  
  N(6D)-H(6D)…Cl(2) 0.86 2.48 3.328(5) 169 1-x,-y,1-z
  N(7A)-H(7A)…Cl(2) 0.86 2.24 3.064(5) 161  
  N(7B)-H(7B)…Cl(1) 0.86 2.29 3.113(5) 160  
  N(7C)-H(7C)…Cl(1) 0.86 2.29 3.116(5) 160  
  N(7D)-H(7D)…Cl(2) 0.86 2.24 3.066(5) 161 1-x,-y,1-z
4 N(6A)-H(6A)…Cl(4) 0.86 2.46 3.304(5) 167 -1 + x,y,z
  N(6B)-H(6B)…Cl(5) 0.86 2.52 3.368(5) 167 -1 + x,y,z
  N(7A)-H(7A)…Cl(4) 0.86 2.27 3.079(4) 157 -1 + x,y,z
  N(7B)-H(7B)…Cl(5) 0.86 2.23 3.055(4) 161 -1 + x,y,z
5 N(1) -H(1)…Br(3) 0.86 2.50 3.238(2) 145 x,3/2-y,-1/2 + z
  N(9) -H(9)…N(3) 0.86 2.09 2.898(4) 156 -x,2-y,-z
6 N(6) -H(6)…Br(2) 0.86 2.85 3.683(8) 165 x,1 + y,z
  N(7) -H(7)…Br(2) 0.86 2.64 3.451(8) 158 x,1 + y,z