| Bond lengths (Å) |
Bond angles (°) |
| |
Exp. |
Cal. |
|
Exp. |
Cal. |
| Cl-C11 |
1.737 (4) |
1.74 |
C9-O3-C4 |
117.3 (4) |
118.2 |
| O3-C9 |
1.325 (6) |
1.32 |
C3-N2-C8 |
129.3 (4) |
129.5 |
| O3-C4 |
1.414 (5) |
1.42 |
N2-C3-C4 |
128.4 (4) |
128.8 |
| O1-C5 |
1.246 (4) |
1.25 |
N2-C3-C2 |
112.9 (3) |
112.3 |
| N2-C3 |
1.326 (5) |
1.34 |
O2-C2-C1 |
123.5 (4) |
123.9 |
| N2-C8 |
1.436 (5) |
1.44 |
O2-C2-C3 |
116.5 (4) |
116.8 |
| O2-C2 |
1.249 (4) |
1.26 |
N1-C6-C5 |
111.5 (3) |
112.2 |
| N1-C6 |
1.326 (5) |
1.34 |
N1-C6-C1 |
129.2 (4) |
129.4 |
| N1-C7 |
1.445 (5) |
1.45 |
C6-N1-C7 |
130.9 (4) |
130.5 |
| C5-C6 |
1.523 (6) |
1.52 |
O1-C5-C4 |
123.2 (4) |
123.6 |
| C6-C1 |
1.376 (5) |
1.36 |
O1-C5-C6 |
117.1 (3) |
117.6 |
|
