Table 2. Hydrogen-bond geometry for [NaCs(C6H6O7)].
| D—H⋯A | D—H(Å) | H⋯A(Å) | D⋯A(Å) | D—H⋯A(°) | Mulliken overlap(electrons) | H-bond energy(kcal mol−1) |
|---|---|---|---|---|---|---|
| O14—H22⋯O14i | 1.200 | 1.200 | 2.347 | 156.1 | 0.133 | 19.9 |
| O11—H21⋯O11ii | 1.203 | 1.203 | 2.398 | 170.6 | 0.143 | 20.7 |
| O17—H18⋯O13111 | 0.976 | 1.941 | 2.779 | 142.4 | 0.046 | 11.7 |
Symmetry codes: (i) −
− x, −
+ y,
− z; (ii) −x, y, −z; (iii)
+ x, −
− y, −
+ z.