| Bond lengths | MBT |
| C(1)-N(1) | 1.455 (2) |
| C(2)-N(1) | 1.327 (2) |
| C(2)-S(1) | 1.691 (18) |
| C(3)-C(4) | 1.460 (3) |
| C(4)-C(5) | 1.378 (3) |
| C(7)-O(1) | 1.359 (2) |
| C(8)-O(1) | 1.426 (2) |
| N(2)-N(3) | 1.383 (2) |
| C(2)-N(2) | 1.349 (2) |
| C(3)-N(3) | 1.282 (2) |
| Bond angles |
|
| N(1)-C(2)-N(2) | 117.58 (16) |
| N(2)-C(2)-S(1) | 118.97 (13) |
| C(2)-N(1)-C(1) | 123.35 (17) |
| C(3)-N(3)-N(2) | 114.20 (15) |
| C(7)-O(1)-C(8) | 117.94 (14) |
| N(3)-C(3)-C(4) | 123.76 (17) |