S1—C1 | 1.6959 (14) | C8—C9 | 1.3914 (18) |
O—C7 | 1.3708 (16) | C10—C11 | 1.498 (2) |
O—H0 | 0.86 (2) | C10—C12 | 1.495 (2) |
N1—C3 | 1.4527 (19) | C3—H3A | 0.9900 |
N1—C1 | 1.3328 (19) | C3—H3B | 0.9900 |
N2—N3 | 1.3929 (17) | C5—H5 | 0.9500 |
N2—C1 | 1.3554 (19) | C6—H6 | 0.9500 |
N3—C10 | 1.284 (2) | C8—H8 | 0.9500 |
N1—H1 | 0.839 (18) | C9—H9 | 0.9500 |
N2—H2 | 0.849 (18) | C11—H11A | 0.9800 |
C3—C4 | 1.5186 (18) | C11—H11B | 0.9800 |
C4—C5 | 1.391 (2) | C11—H11C | 0.9800 |
C4—C9 | 1.395 (2) | C12—H12A | 0.9800 |
C5—C6 | 1.3914 (19) | C12—H12B | 0.9800 |
C6—C7 | 1.392 (2) | C12—H12C | 0.9800 |
C7—C8 | 1.391 (2) | ||
C7—O—H0 | 111.1 (13) | N1—C3—H3B | 109.00 |
C1—N1—C3 | 124.73 (12) | C4—C3—H3A | 109.00 |
N2—N3—C10 | 116.82 (12) | C4—C3—H3B | 109.00 |
S1—C1—N1 | 124.19 (11) | H3A—C3—H3B | 108.00 |
S1—C1—N2 | 119.75 (11) | C4—C5—H5 | 119.00 |
C1—N1—H1 | 115.1 (12) | C6—C5—H5 | 119.00 |
C3—N1—H1 | 119.1 (12) | C5—C6—H6 | 120.00 |
N1—C1—N2 | 116.05 (12) | C7—C6—H6 | 120.00 |
N3—N2—H2 | 120.9 (12) | C7—C8—H8 | 120.00 |
C1—N2—H2 | 116.2 (13) | C9—C8—H8 | 120.00 |
N1—C3—C4 | 113.39 (12) | C4—C9—H9 | 119.00 |
C3—C4—C5 | 122.91 (12) | C8—C9—H9 | 119.00 |
C5—C4—C9 | 118.17 (12) | C10—C11—H11A | 109.00 |
C3—C4—C9 | 118.92 (12) | C10—C11—H11B | 109.00 |
C4—C5—C6 | 121.31 (13) | C10—C11—H11C | 109.00 |
C5—C6—C7 | 119.54 (13) | H11A—C11—H11B | 109.00 |
O—C7—C6 | 117.57 (13) | H11A—C11—H11C | 109.00 |
C6—C7—C8 | 120.21 (12) | H11B—C11—H11C | 109.00 |
O—C7—C8 | 122.21 (12) | C10—C12—H12A | 109.00 |
C7—C8—C9 | 119.30 (13) | C10—C12—H12B | 109.00 |
C4—C9—C8 | 121.46 (13) | C10—C12—H12C | 109.00 |
N3—C10—C12 | 116.82 (14) | H12A—C12—H12B | 109.00 |
C11—C10—C12 | 116.61 (14) | H12A—C12—H12C | 109.00 |
N3—C10—C11 | 126.57 (13) | H12B—C12—H12C | 109.00 |
N1—C3—H3A | 109.00 | ||
C3—N1—C1—S1 | 10.03 (19) | C3—C4—C9—C8 | 178.25 (13) |
C3—N1—C1—N2 | −171.02 (12) | C3—C4—C5—C6 | −178.75 (14) |
C1—N1—C3—C4 | 97.14 (15) | C9—C4—C5—C6 | 0.6 (2) |
C1—N2—N3—C10 | −175.62 (14) | C5—C4—C9—C8 | −1.1 (2) |
N3—N2—C1—S1 | −170.98 (10) | C4—C5—C6—C7 | 0.7 (2) |
N3—N2—C1—N1 | 10.02 (19) | C5—C6—C7—C8 | −1.4 (2) |
N2—N3—C10—C12 | −178.18 (13) | C5—C6—C7—O | 178.34 (13) |
N2—N3—C10—C11 | 1.5 (2) | O—C7—C8—C9 | −178.83 (13) |
N1—C3—C4—C9 | 169.60 (13) | C6—C7—C8—C9 | 0.9 (2) |
N1—C3—C4—C5 | −11.0 (2) | C7—C8—C9—C4 | 0.4 (2) |