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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 (Å) 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