Table 2. One-dimensional packing relationships between 3-Br and other derivatives of salicylic acid, based on the stacking of either individual molecules (X11) or dimers (A11) along the short crystallographic axis and identified with XPac .
| Compound | SCa | x 10 b | d ()c | CSD code | reference |
|---|---|---|---|---|---|
| 3-Br | A11 | - | 3.80 | - | This work |
| 5-F | A11 | 4.2 | 3.82 | ABENEB | Choudhury Guru Row (2004 ▸) |
| 5-COOH | A11 | 4.8 | 3.68 | OJICEP | Cox Murphy (2003 ▸) |
| 3,4-OH0.25H2O | A11 | 5.6 | 3.73 | LAPZUZ | Li et al. (2012 ▸) |
| 5-OMe | A11 | 5.6 | 3.98 | VAXZUR | Montis Hursthouse (2012 ▸) |
| 5-Cl | A11 | 7.1 | 3.71 | VABVAX01 | Montis Hursthouse (2012 ▸) |
| 4-Cl | A11 | 9.2 | 3.72 | VAXYAW | Montis Hursthouse (2012 ▸) |
| 5-NO | A11 | 9.5 | 3.67 | NTSALA | Talberg (1977 ▸) |
| 4-NH2 | A11 | 10.3 | 3.73 | AMSALA02 | Montis Hursthouse (2012 ▸) |
| 4-OH | A11 | 10.7 | 3.69 | ZZZEEU04 | Parkin et al. (2007 ▸) |
| 4-Me | A11 | 11.5 | 3.87 | VAXYIE | Montis Hursthouse (2012 ▸) |
| 5-ACMH2O | X11 | 2.2 | 3.75 | VAXYOK | Montis Hursthouse (2012 ▸) |
| 5-CHO | X11 | 5.6 | 3.78 | UJOFEF | Lu et al. (2010 ▸) |
| 3-CHOH2O | X11 | 11.1 | 3.72 | JOHXEJ | Claude et al. (1991 ▸) |
Notes: (a) the largest supramolecular construct which a crystal has in common with that of 3-Br; (b) XPac dissimilarity index computed from intermolecular geometrical parameters which were calculated using the ten non-H atomic positions of the common salicylic acid molecular fragment; (c) the length of the X11 stacking vector.