Table 2. Hydrogen Bond Distances (Å) and Angles (deg) for All the Co-crystals/Salts, 1–7, 2a, and 6aa.
co-crystal/salt | O–H···N | N+–H···O– | N+–H···O | O–H···O | C–H···O |
---|---|---|---|---|---|
1 | 2.07 2.96(2) 148 | 2.14 2.94(2) 135 | 1.59 2.59(1) 175 | 2.48 3.52(2) 161 | |
1.59 2.55(1) 166 | 2.56 3.43(2) 137 | ||||
1.75 2.64(2) 151 | 2.74 3.49(2) 154 | ||||
2.63 3.52(2) 139 | |||||
2 | 1.77 2.74(2) 171 | 1.71 2.68(1) 174 | 2.54 3.61(2) 171 | ||
1.71 2.69(2) 172 | 2.56 3.55(2) 153 | ||||
2.59 3.39(2) 131 | |||||
2.64 3.45(2) 132 | |||||
2a | 1.75 2.73(1) 175 | 1.69 2.66(1) 173 | 2.40 3.45(1) 164 | ||
1.69 2.66(1) 168 | 2.55 3.46(2) 142 | ||||
1.92 2.85(1) 158 | 2.58 3.46(2) 139 | ||||
2.59 3.57(1) 150 | |||||
3 | 1.94 2.73(1) 133 | 1.48 2.46(1) 173 | 2.51 3.46(1) 147 | ||
1.54 2.52(1) 175 | 2.63 3.71(2) 173 | ||||
1.55 2.66(2) 167 | 2.63 3.65(2) 158 | ||||
1.67 2.61(2) 161 | 2.64 3.61(2) 150 | ||||
1.85 2.70(1) 142 | |||||
4 | 1.59 2.57(1) 173 | 1.69 2.60(1) 149 | 2.31 3.04(2) 130 | 1.44 2.38(2) 160 | 2.22 3.24(1) 157 |
1.94 2.74(2) 137 | 2.26 3.26(2) 153 | ||||
2.38 3.41(2) 159 | |||||
2.49 3.55(1) 168 | |||||
2.52 3.34(2) 139 | |||||
2.67 3.68(2) 156 | |||||
2.72 3.73(2) 156 | |||||
5 | 1.62 2.60(1) 176 | 1.55 2.54(1) 169 | 1.73 2.68(1) 161 | 2.43 3.28(1) 135 | |
1.92 2.71(2) 135 | 2.49 3.53(2) 161 | ||||
2.54 3.59(2) 163 | |||||
2.54 3.58(1) 162 | |||||
2.57 3.60(2) 159 | |||||
6 | 1.66 2.64(1) 179 | 1.71 2.70(1) 167 | 1.58 2.54(1) 166 | 2.42 3.39(2) 149 | |
2.42 3.16(2) 130 | 2.05 2.90(1) 141 | 2.44 3.23(2) 130 | |||
2.45 3.43(2) 151 | |||||
2.60 3.49(2) 140 | |||||
2.67 3.59(2) 143 | |||||
2.75 3.69(2) 146 | |||||
2.74 3.79(2) 165 | |||||
6a | 1.59 2.56(1) 172 | 1.88 2.72(1) 140 | 1.81 2.79(1) 174 | 2.53 3.53(2) 154 | |
2.20 2.96(1) 140 | 1.81 2.77(1) 167 | 2.53 3.51(1) 151 | |||
1.83 2.80(1) 171 | 2.52 3.37(2) 154 | ||||
1.95 2.56(1) 141 | 2.72 3.63(1) 142 | ||||
2.85 3.76(2) 143 | |||||
2.86 3.79(2) 145 | |||||
2.89 3.88(2) 152 | |||||
7 | 1.61 2.58(2) 169 | 2.31 3.37(2) 168 | |||
1.64 2.60(1) 168 | 2.35 3.43(1) 172 | ||||
1.67 2.61(1) 158 | 2.37 3.44(1) 169 | ||||
2.46 3.52(2) 169 | |||||
2.62 3.50(2) 153 |
For each structure, the three columns represent the distances of H···A, D···A, and angles ∠D–H···A, respectively.