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Table 4 Hydrogen bond metrics for compounds 8b-14b

From: Design of co-crystals/salts of some Nitrogenous bases and some derivatives of thiophene carboxylic acids through a combination of hydrogen and halogen bonds

D--–H....A

H…A (Ǻ)

D…A (Ǻ)

D –H…A

Symmetry operation

5TPC44BIPY (8b)

    

O1 –H1 ∙∙∙N1

1.77

2.6543(16)

179

 

TPC44BIPY(9b)

    

O1 –H1 ∙∙∙N1

1.76(3)

2.629(3)

178(3)

 

5TPC44TMBP(10b)

    

O1 –H1 ∙∙∙N1

1.63(4)

2.576(3)

171(3)

 

C9 –H9 ∙∙∙O2

2.44

3.350(3)

166

1-x,-1 + y,1-z

C-X…Cg

X…Cg (Å)

C-X..Cg (°)

Y..Cg (Ã…)

Symmetry code

C5-Cl1 Cg2

3.6338(12)

90.93(8)

4.045(3)

X,1 + Y,Z

TPC44TMBP(11b)

    

O3 –H1 ∙∙∙N1

1.81

2.592(9)

156

 

N2 –H2 ∙∙∙O2

1.75

2.569(8)

171

 

C20-H20∙∙∙O4

2.59

3.488(10)

163

-1/2 + x,1/2-y,z

TDC44TMBP(12b)

    

N1 -H1A∙∙∙O2

1.75

2.5883(19)

165

 

O3 -H3A∙∙∙O1

1.56(2)

2.5439(16)

176(2)

 

C7 –H7 ∙∙∙O4

2.42

3.297(2)

156

1-x,1-y,1-z

C8 –H8 ∙∙∙O4

2.48

3.368(2)

161

1 + x,y,1 + z

C11-H11∙∙∙O1

2.39

3.201(3)

146

-x,1-y,1-z

5TPC44BIPZ(13b)

    

N1 -H1A∙∙∙O3

1.85

2.7396(16)

167

 

N1 -H1B∙∙∙O4

1.99

2.8852(19)

159

2-x,1-y,1-z

O1 -H2A∙∙∙O4

1.52

2.5202(17)

172

 

5TPC44PYNO(14b)

    

O1 -H1A∙∙∙O3

1.84(5)

2.560(4)

171(5)

 

C6 –H6 ∙∙∙O2

2.39

3.287(5)

163

 

C7 –H7 ∙∙∙O3

2.50

3.381(4)

158

x,1/2-y,-1/2 + z

C10-H10∙∙∙O2

2.51

3.308(4)

144

x,1/2-y,1/2 + z

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