Table 1. Selected geometric parameters (Å, °) for (I)–(IV) .
| (I) | (II) | (III) | (IV) | |
|---|---|---|---|---|
| C1—O1 | 1.206 (5) | 1.208 (3) | 1.210 (4) | 1.220 (3) |
| C1—N2 | 1.385 (5) | 1.370 (3) | 1.379 (4) | 1.382 (3) |
| N2—C3 | 1.384 (6) | 1.377 (3) | 1.283 (4) | 1.281 (3) |
| C3—S3 | 1.615 (4) | 1.615 (3) | ||
| C3—O4 | 1.325 (5) | 1.324 (3) | ||
| C3—S31 | 1.730 (4) | 1.733 (3) | ||
| C3—O41 | 1.321 (4) | 1.326 (3) | ||
| O1—C1—N2 | 122.4 (4) | 122.3 (3) | 125.7 (3) | 125.1 (3) |
| C1—N2—C3 | 127.3 (4) | 127.1 (2) | 120.0 (3) | 119.2 (2) |
| N2—C3—S3 | 127.4 (3) | 128.5 (2) | ||
| N2—C3—S31 | 128.3 (3) | 127.9 (2) | ||
| C12—C11—C1—N2 | 19.3 (6) | −21.4 (4) | 8.3 (5) | 8.9 (4) |
| C11—C1—N2—C3 | −162.4 (4) | 179.0 (2) | 177.9 (3) | 176.1 (2) |
| C1—N2—C3—O4 | −179.9 (4) | −171.7 (2) | ||
| N2—C3—O4—C5 | −174.4 (4) | −177.8 (2) | ||
| C3—O4—C5—C6 | −171.0 (4) | −171.3 (2) | ||
| C1—N2—C3—S31 | 1.3 (5) | 0.7 (4) | ||
| C1—N2—C3—O41 | −178.8 (3) | −179.6 (2) | ||
| N2—C3—C31—C32 | 178.1 (3) | −172.7 (3) | ||
| C3—S31—C32—C33 | −179.4 (3) | 78.7 (2) | ||
| N2—C3—O41—C42 | −1.3 (5) | 3.2 (4) | ||
| C3—O41—C42—C43 | −178.4 (3) | −172.5 (2) | ||