Table 8.
Summary of the data for the crystals of the studied compounds a.
| BA | 2FBA | 26DFBA | 2CBA | 26DCBA | 2C6FBA | |
|---|---|---|---|---|---|---|
| [30] | [20] | [22] | [21] | [23] | [24] | |
| Crystal system | Monoclinic | Monoclinic | Monoclinic | Monoclinic | Triclinic | Monoclinic |
| Space group | P21/c | P21/n | P21/c | C2/c | P | P21/c |
| Z | 4 | 4 | 4 | 8 | 4 | 4 |
| Z′ | 1 | 1 | 1 | 1 | 2 | 1 |
| a/Å | 5.4996(5) | 6.5523(13) | 3.6517(4) | 14.6382(16) | 7.2678(9) | 3.7655(2) |
| b/Å | 5.1283(5) | 3.7524(8) | 14.1214(15) | 3.8142(6) | 9.8543(8) | 13.9660(7) |
| c/Å | 21.950(2) | 25.021(5) | 12.2850(13) | 23.812(3) | 11.8290(11) | 13.2300(7) |
| α/° | 90 | 90 | 90 | 90 | 95.000(7) | 90 |
| β/° | 97.37(1) | 92.82(3) | 95.651(3) | 101.146(11) | 104.262(10) | 98.034(3) |
| γ/° | 90 | 90 | 90 | 90 | 102.128(8) | 90 |
| Cell volume/Å3 | 614(1) | 614.5(2) | 630.42(12) | 1304.4(3) | 794.07(14) | 688.92(6) |
| Density | 1.322 | 1.515 | 1.666 | 1.544 | 1.598 | 1.683 |
| Conformer | cis | cis-I | cis | cis-I | cis | cis |
| φ/° | 0.0 | 10.4(3) | 33.7(14) | 13.7(2) | 88.1//82.2 | 46.4(2) |
| Temperature/K | RT | 100(2) | 100.0(1) | 150(2) | 198(2) | 200(1) |
a Uncertainties are given in parentheses in units of the last digit. RT, room temperature. φ, represents the angle between the planes of the aromatic ring and the carboxylic acid substituent; for 26DCBA the two values presented correspond to the value of this angle in the two non-equivalent molecules in the crystal.