Table 2.
Bond | Experimental | Calculated |
Cl1-C1 | 1.7320 (13) | 1.7314 |
Cl2-C5 | 1.7295 (14) | 1.7405 |
O1-N1 | 1.222 (2) | 1.2370 |
O2-N1 | 1.211 (2) | 1.2372 |
N1-C8 | 1.4563 (18) | 1.4511 |
Atom Angle | Experimental | Calculated |
O1-N1-O2 | 124.37 (14) | 125.1111 |
O1-N1-C8 | 115.73 (14) | 115.6492 |
O2-N1-C8 | 119.90 (14) | 119.2397 |
Cl1-C1-C2 | 117.62 (11) | 124.7209 |
Cl1-C1-C6 | 120.34 (9) | 113.6358 |
Cl2-C5-C4 | 118.18 (11) | 114.3525 |
Cl2-C5-C6 | 119.58 (10) | 123.4094 |
N1-C8-C7 | 120.57 (13) | 119.8515 |