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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