Table 4.
Crystallographic parameters of anthranilic acid derivatives
compound name | 3 | 7 | 9 | 11 | 15 | 17 | 19 |
---|---|---|---|---|---|---|---|
formula | C14H13NO2 | C16H17NO2 | C17H19NO2 | C19H15NO2 | C14H13NO2 | C17H19NO2 | C21H19NO2 |
mol wt | 227.25 | 255.31 | 269.33 | 289.32 | 227.25 | 269.33 | 317.37 |
temp (K) | 173 | 183 | 173 | 183 | 173 | 163 | 173 |
system | Monoclinic | Triclinic | Triclinic | Monoclinic | Triclinic | Triclinic | Triclinic |
space group | C2/c | P-1 | P-1 | P21/c | P-1 | P-1 | P-1 |
a (Å) | 11.7804(16) | 7.4585(10) | 7.4748(12) | 5.7231(8) | 4.6299(14) | 10.9634(7) | 10.5769(16) |
b (Å) | 7.4503(10) | 7.5891(10) | 9.3856(15) | 17.929(2) | 8.332(2) | 11.7048(7) | 11.4108(17) |
c (Å) | 26.627(3) | 13.6653(19) | 11.0319(17) | 14.4300(19) | 15.336(4) | 22.9688(14) | 14.162(2) |
α(°) | 90 | 79.998(2) | 106.582(3). | 90° | 98.466(4) | 88.8990(10) | 80.856(3) |
β(°) | 100.168(2) | 85.875(2) | 91.207(3) | 101.064(2) | 92.198(4) | 89.0970(10) | 82.334(3) |
γ(°) | 90 | 62.141(2) | 99.212(3) | 90 | 101.337(4) | 82.0050(10) | 84.982(3) |
V (Å3) | 2300.3(5) | 673.42(16) | 730.4(2) | 1453.2(3) | 572.3(3) | 2918.0(3) | 1668.5(4) |
Z | 8 | 2 | 2 | 4 | 2 | 8 | 4 |
ρ (g/cm3) | 1.312 | 1.259 | 1.225 | 1.322 | 1.319 | 1.226 | 1.263 |
θ range (°) | 1.55–27.99 | 1.51–27.99 | 1.93–28.00 | 1.83–27.99 | 2.52–28.00 | 1.76–28.00 | 1.95–27.99 |
index ranges | −15 ≤ h ≤ 15 | −9 ≤ h ≤ 9 | −9 ≤ h ≤ 9 | −7 ≤ h ≤ 7 | −76≤ h ≤ 6 | −14 ≤ h ≤ 14 | −13 ≤ h ≤ 13 |
−9 ≤ k ≤ 9 | −9 ≤ k ≤ 10 | −12 ≤ k ≤ 12 | −23 ≤ k ≤ 22 | −10 ≤ k ≤ 11 | −15 ≤ k ≤ 15 | −14 ≤ k ≤ 14 | |
−35 ≤ l ≤ 34 | −17 ≤ l ≤ 18 | −14 ≤ l ≤ 14 | −18 ≤ l ≤ 19 | −20 ≤ l ≤ 19 | −30 ≤ l ≤ 29 | −18 ≤ l ≤ 18 | |
reflns collected | 9959 | 6018 | 6614 | 12467 | 4861 | 25329 | 14927 |
unique reflns | 2714 | 3054 | 3338 | 3401 | 2552 | 13122 | 7547 |
R(int) | 0.0410 | 0.0282 | 0.0231 | 0.0430 | 0.0211 | 0.0345 | 0.0309 |
refined params | 155 | 174 | 192 | 199 | 155 | 733 | 445 |
GOF on F2 | 1.020 | 0.914 | 1.060 | 1.027 | 0.980 | 1.045 | 1.032 |
R1 [I>2σ (I)] | 0.0483 | 0.0462 | 0.0414 | 0.0463 | 0.0442 | 0.0618 | 0.0460 |
wR2 (all data) | 0.1409 | 0.1228 | 0.1073 | 0.1127 | 0.1140 | 0.2060 | 0.1154 |