T5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | N | sing | 1.47Å | 1.45Å | |
| C11 | S | sing | 1.81Å | 1.81Å | |
| N | C9 | sing | 1.35Å | 1.33Å | |
| O1 | C9 | doub | 1.21Å | 1.21Å | |
| C9 | C1 | sing | 1.51Å | 1.50Å | |
| C8 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| O | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | BR | sing | 1.89Å | 1.88Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| S | H16 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N | 112.3° | 109.5° |
| C10 | C11 | S | 111.6° | 109.5° |
| C11 | C10 | H5 | 108.7° | 109.5° |
| C11 | C10 | H6 | 108.7° | 109.5° |
| C10 | C11 | H7 | 108.9° | 109.5° |
| C10 | C11 | H8 | 108.9° | 109.5° |
| C10 | N | C9 | 121.0° | 120.0° |
| C10 | N | H1 | 119.5° | 120.0° |
| N | C10 | H5 | 108.8° | 109.5° |
| N | C10 | H6 | 108.8° | 109.4° |
| S | C11 | H7 | 108.9° | 109.4° |
| S | C11 | H8 | 108.9° | 109.5° |
| C11 | S | H16 | 102.0° | 103.0° |
| N | C9 | O1 | 124.2° | 120.0° |
| N | C9 | C1 | 116.4° | 120.0° |
| C9 | N | H1 | 119.5° | 120.0° |
| O1 | C9 | C1 | 119.4° | 120.0° |
| C9 | C1 | C8 | 103.6° | 109.4° |
| C9 | C1 | O | 110.4° | 109.5° |
| C9 | C1 | C | 114.9° | 109.5° |
| C8 | C1 | O | 106.6° | 109.5° |
| C8 | C1 | C | 109.2° | 109.5° |
| C1 | C8 | H13 | 109.5° | 109.4° |
| C1 | C8 | H14 | 109.5° | 109.5° |
| C1 | C8 | H15 | 109.5° | 109.5° |
| O | C1 | C | 111.5° | 109.5° |
| C1 | O | C2 | 124.8° | 117.0° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.4° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| O | C2 | C3 | 122.8° | 120.0° |
| O | C2 | C7 | 116.0° | 120.1° |
| C3 | C2 | C7 | 121.1° | 119.9° |
| C2 | C3 | C4 | 119.3° | 119.9° |
| C2 | C3 | H9 | 120.4° | 120.0° |
| C2 | C7 | C6 | 119.4° | 120.0° |
| C2 | C7 | H12 | 120.3° | 120.0° |
| C3 | C4 | C5 | 118.4° | 120.1° |
| C4 | C3 | H9 | 120.4° | 120.0° |
| C3 | C4 | H10 | 120.8° | 119.9° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C7 | C6 | H11 | 120.2° | 120.0° |
| C6 | C7 | H12 | 120.3° | 120.0° |
| C4 | C5 | C6 | 122.1° | 120.1° |
| C4 | C5 | BR | 118.8° | 120.0° |
| C5 | C4 | H10 | 120.8° | 120.0° |
| C6 | C5 | BR | 119.2° | 120.0° |
| C5 | C6 | H11 | 120.2° | 120.0° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.4° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.4° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N | H5 | 120.4° | 120.0° |
| C11 | C10 | N | H6 | 120.4° | 120.0° |
| C10 | C11 | S | H7 | 120.4° | 120.0° |
| C10 | C11 | S | H8 | 120.3° | 120.0° |
| C11 | C10 | N | C9 | 80.6° | 180.0° |
| C11 | C10 | N | H1 | 99.4° | 0.3° |
| C11 | C10 | H5 | H6 | 118.7° | 120.0° |
| C10 | C11 | H7 | H8 | 119.0° | 120.0° |
| C10 | C11 | S | H16 | 180.0° | 180.0° |
| N | C10 | C11 | S | 76.5° | 180.0° |
| C10 | N | C9 | H1 | 180.0° | 179.7° |
| C10 | N | C9 | O1 | 2.3° | 0.3° |
| C10 | N | C9 | C1 | 175.8° | 179.7° |
| N | C10 | H5 | H6 | 118.7° | 120.0° |
| N | C10 | C11 | H7 | 43.9° | 60.0° |
| N | C10 | C11 | H8 | 163.2° | 60.0° |
| S | C11 | C10 | H5 | 44.0° | 60.0° |
| S | C11 | C10 | H6 | 163.1° | 60.0° |
| S | C11 | H7 | H8 | 119.0° | 120.0° |
| N | C9 | O1 | C1 | 178.1° | 180.0° |
| N | C9 | C1 | C8 | 98.7° | 60.0° |
| N | C9 | C1 | O | 15.2° | 180.0° |
| N | C9 | C1 | C | 142.3° | 60.0° |
| C9 | N | C10 | H5 | 159.0° | 60.0° |
| C9 | N | C10 | H6 | 39.8° | 60.0° |
| O1 | C9 | C1 | C8 | 79.6° | 120.0° |
| O1 | C9 | C1 | O | 166.6° | 0.0° |
| O1 | C9 | C1 | C | 39.4° | 120.0° |
| O1 | C9 | N | H1 | 177.7° | 180.0° |
| C9 | C1 | C8 | O | 116.6° | 120.0° |
| C9 | C1 | C8 | C | 122.9° | 120.0° |
| C9 | C1 | O | C | 129.0° | 120.0° |
| C9 | C1 | O | C2 | 76.9° | 62.4° |
| C1 | C9 | N | H1 | 4.2° | 0.0° |
| C9 | C1 | C | H2 | 180.0° | 69.1° |
| C9 | C1 | C | H3 | 60.0° | 50.9° |
| C9 | C1 | C | H4 | 60.0° | 170.8° |
| C9 | C1 | C8 | H13 | 180.0° | 175.1° |
| C9 | C1 | C8 | H14 | 60.0° | 65.0° |
| C9 | C1 | C8 | H15 | 60.0° | 55.0° |
| C8 | C1 | O | C | 119.1° | 120.0° |
| C8 | C1 | O | C2 | 171.2° | 177.6° |
| C8 | C1 | C | H2 | 64.2° | 170.9° |
| C8 | C1 | C | H3 | 55.8° | 69.1° |
| C8 | C1 | C | H4 | 175.8° | 50.8° |
| C1 | C8 | H13 | H14 | 120.0° | 119.9° |
| C1 | C8 | H13 | H15 | 120.0° | 120.0° |
| C1 | C8 | H14 | H15 | 120.0° | 120.0° |
| C1 | O | C2 | C3 | 29.5° | 174.1° |
| C1 | O | C2 | C7 | 153.8° | 6.1° |
| O | C1 | C | H2 | 53.4° | 50.9° |
| O | C1 | C | H3 | 173.4° | 170.9° |
| O | C1 | C | H4 | 66.6° | 69.2° |
| O | C1 | C8 | H13 | 63.4° | 55.1° |
| O | C1 | C8 | H14 | 56.6° | 175.0° |
| O | C1 | C8 | H15 | 176.5° | 65.0° |
| C | C1 | O | C2 | 52.1° | 57.6° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C | C1 | C8 | H13 | 57.1° | 65.0° |
| C | C1 | C8 | H14 | 177.1° | 55.0° |
| C | C1 | C8 | H15 | 62.9° | 175.0° |
| O | C2 | C3 | C7 | 176.6° | 179.8° |
| O | C2 | C3 | C4 | 177.4° | 180.0° |
| O | C2 | C7 | C6 | 179.2° | 179.7° |
| O | C2 | C3 | H9 | 2.6° | 0.1° |
| O | C2 | C7 | H12 | 0.8° | 0.0° |
| C2 | C3 | C4 | H9 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 2.4° | 0.5° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| C2 | C3 | C4 | H10 | 179.4° | 180.0° |
| C3 | C2 | C7 | H12 | 177.6° | 179.8° |
| C7 | C2 | C3 | C4 | 0.8° | 0.2° |
| C2 | C7 | C6 | H12 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 2.4° | 0.5° |
| C7 | C2 | C3 | H9 | 179.2° | 179.7° |
| C2 | C7 | C6 | H11 | 177.6° | 179.7° |
| C3 | C4 | C5 | H10 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | BR | 179.8° | 180.0° |
| C7 | C6 | C5 | C4 | 1.0° | 0.2° |
| C7 | C6 | C5 | H11 | 180.0° | 179.8° |
| C7 | C6 | C5 | BR | 178.6° | 179.7° |
| C4 | C5 | C6 | BR | 179.7° | 179.9° |
| C5 | C4 | C3 | H9 | 179.4° | 180.0° |
| C4 | C5 | C6 | H11 | 179.0° | 180.0° |
| C6 | C5 | C4 | H10 | 179.5° | 180.0° |
| C5 | C6 | C7 | H12 | 177.6° | 179.8° |
| BR | C5 | C4 | H10 | 0.2° | 0.0° |
| BR | C5 | C6 | H11 | 1.3° | 0.0° |
| H1 | N | C10 | H5 | 21.0° | 119.8° |
| H1 | N | C10 | H6 | 140.2° | 120.3° |
| H2 | C | H3 | H4 | 120.0° | 120.1° |
| H5 | C10 | C11 | H7 | 164.3° | 180.0° |
| H5 | C10 | C11 | H8 | 76.4° | 60.0° |
| H6 | C10 | C11 | H7 | 76.6° | 59.9° |
| H6 | C10 | C11 | H8 | 42.8° | 179.9° |
| H7 | C11 | S | H16 | 59.7° | 60.0° |
| H8 | C11 | S | H16 | 59.6° | 60.0° |
| H9 | C3 | C4 | H10 | 0.6° | 0.0° |
| H11 | C6 | C7 | H12 | 2.4° | 0.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.1° |
