SN5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S7 | C7 | doub | 1.60Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C2 | sing | 1.46Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.41Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S7 | C7 | C8 | 116.7° | 120.0° |
| S7 | C7 | N2 | 124.8° | 120.0° |
| C8 | C7 | N2 | 118.6° | 120.0° |
| C7 | C8 | H81C | 109.5° | 109.5° |
| C7 | C8 | H82C | 109.4° | 109.5° |
| C7 | C8 | H83C | 109.5° | 109.5° |
| C7 | N2 | C2 | 122.4° | 120.0° |
| C7 | N2 | HN21 | 118.8° | 119.9° |
| N2 | C2 | C1 | 103.9° | 109.5° |
| N2 | C2 | C3 | 110.0° | 109.5° |
| C2 | N2 | HN21 | 118.8° | 120.0° |
| N2 | C2 | H2 | 112.7° | 109.6° |
| C1 | C2 | C3 | 109.4° | 109.2° |
| C2 | C1 | O1 | 108.4° | 109.5° |
| C2 | C1 | O5 | 108.2° | 109.4° |
| C1 | C2 | H2 | 113.2° | 109.5° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| C2 | C3 | O3 | 106.2° | 109.5° |
| C2 | C3 | C4 | 113.2° | 109.0° |
| C3 | C2 | H2 | 107.5° | 109.6° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| O1 | C1 | O5 | 105.6° | 109.5° |
| O1 | C1 | H1 | 112.2° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | O5 | C5 | 110.2° | 114.1° |
| O5 | C1 | H1 | 112.4° | 109.5° |
| O3 | C3 | C4 | 107.7° | 109.6° |
| O3 | C3 | H3 | 114.0° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 112.0° | 109.5° |
| C3 | C4 | C5 | 111.9° | 109.2° |
| C4 | C3 | H3 | 107.2° | 109.6° |
| C3 | C4 | H4 | 105.8° | 109.5° |
| O4 | C4 | C5 | 108.6° | 109.5° |
| O4 | C4 | H4 | 109.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 112.1° | 109.4° |
| C4 | C5 | C6 | 113.3° | 109.5° |
| C5 | C4 | H4 | 109.3° | 109.6° |
| C4 | C5 | H5 | 104.3° | 109.5° |
| O5 | C5 | C6 | 107.3° | 109.4° |
| O5 | C5 | H5 | 110.6° | 109.5° |
| C5 | C6 | O6 | 107.0° | 109.5° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| C5 | C6 | H61 | 110.3° | 109.5° |
| C5 | C6 | H62 | 110.9° | 109.5° |
| O6 | C6 | H61 | 110.3° | 109.5° |
| O6 | C6 | H62 | 110.9° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.1° |
| H81C | C8 | H82C | 109.5° | 109.4° |
| H81C | C8 | H83C | 109.5° | 109.5° |
| H82C | C8 | H83C | 109.5° | 109.5° |
| H61 | C6 | H62 | 107.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S7 | C7 | C8 | N2 | 179.9° | 179.9° |
| S7 | C7 | N2 | C2 | 1.6° | 0.1° |
| S7 | C7 | C8 | H81C | 11.0° | 90.0° |
| S7 | C7 | C8 | H82C | 130.9° | 150.1° |
| S7 | C7 | C8 | H83C | 109.1° | 30.0° |
| S7 | C7 | N2 | HN21 | 178.3° | 180.0° |
| C8 | C7 | N2 | C2 | 178.4° | 180.0° |
| C7 | C8 | H81C | H82C | 120.0° | 120.0° |
| C7 | C8 | H81C | H83C | 120.0° | 120.0° |
| C7 | C8 | H82C | H83C | 120.0° | 120.0° |
| C8 | C7 | N2 | HN21 | 1.6° | 0.0° |
| C7 | N2 | C2 | HN21 | 180.0° | 180.0° |
| C7 | N2 | C2 | C1 | 115.5° | 85.0° |
| C7 | N2 | C2 | C3 | 127.4° | 155.3° |
| N2 | C7 | C8 | H81C | 169.0° | 90.0° |
| N2 | C7 | C8 | H82C | 49.0° | 30.0° |
| N2 | C7 | C8 | H83C | 71.0° | 150.0° |
| C7 | N2 | C2 | H2 | 7.5° | 35.1° |
| N2 | C2 | C1 | C3 | 117.4° | 119.9° |
| N2 | C2 | C1 | H2 | 122.7° | 120.2° |
| N2 | C2 | C3 | H2 | 123.1° | 120.2° |
| N2 | C2 | C1 | O1 | 66.4° | 62.5° |
| N2 | C2 | C1 | O5 | 179.6° | 177.5° |
| N2 | C2 | C3 | O3 | 81.3° | 63.3° |
| N2 | C2 | C3 | C4 | 160.7° | 176.9° |
| N2 | C2 | C1 | H1 | 56.6° | 57.5° |
| N2 | C2 | C3 | H3 | 41.8° | 56.9° |
| C1 | C2 | C3 | H2 | 123.3° | 119.9° |
| C2 | C1 | O1 | O5 | 115.7° | 120.0° |
| C2 | C1 | O1 | H1 | 121.5° | 120.0° |
| C2 | C1 | O5 | H1 | 121.5° | 120.0° |
| C1 | C2 | C3 | O3 | 165.1° | 176.8° |
| C1 | C2 | C3 | C4 | 47.1° | 57.0° |
| C2 | C1 | O5 | C5 | 71.3° | 61.1° |
| C1 | C2 | N2 | HN21 | 64.5° | 95.0° |
| C1 | C2 | C3 | H3 | 71.8° | 63.0° |
| C2 | C1 | O1 | HO1 | 1.6° | 180.0° |
| C3 | C2 | C1 | O1 | 176.2° | 177.6° |
| C3 | C2 | C1 | O5 | 62.1° | 57.6° |
| C2 | C3 | O3 | C4 | 121.5° | 119.6° |
| C2 | C3 | O3 | H3 | 119.7° | 120.2° |
| C2 | C3 | C4 | H3 | 119.8° | 119.9° |
| C2 | C3 | C4 | O4 | 161.3° | 176.9° |
| C2 | C3 | C4 | C5 | 39.1° | 57.0° |
| C3 | C2 | N2 | HN21 | 52.6° | 24.7° |
| C3 | C2 | C1 | H1 | 60.9° | 62.4° |
| C2 | C3 | O3 | HO3 | 171.4° | 180.0° |
| C2 | C3 | C4 | H4 | 79.8° | 63.0° |
| O1 | C1 | O5 | H1 | 122.7° | 120.0° |
| O1 | C1 | O5 | C5 | 172.9° | 178.8° |
| O1 | C1 | C2 | H2 | 56.3° | 57.7° |
| C1 | O5 | C5 | C4 | 62.9° | 61.2° |
| C1 | O5 | C5 | C6 | 172.1° | 178.8° |
| O5 | C1 | C2 | H2 | 57.8° | 62.4° |
| O5 | C1 | O1 | HO1 | 117.3° | 60.0° |
| C1 | O5 | C5 | H5 | 53.0° | 58.8° |
| O3 | C3 | C4 | H3 | 123.1° | 120.3° |
| O3 | C3 | C4 | O4 | 81.6° | 63.2° |
| O3 | C3 | C4 | C5 | 156.2° | 176.8° |
| O3 | C3 | C2 | H2 | 41.8° | 57.0° |
| O3 | C3 | C4 | H4 | 37.3° | 56.9° |
| C3 | C4 | O4 | C5 | 124.1° | 119.7° |
| C3 | C4 | O4 | H4 | 116.8° | 120.1° |
| C3 | C4 | C5 | H4 | 116.8° | 119.9° |
| C3 | C4 | C5 | O5 | 45.9° | 57.6° |
| C3 | C4 | C5 | C6 | 167.4° | 177.6° |
| C4 | C3 | C2 | H2 | 76.2° | 62.9° |
| C4 | C3 | O3 | HO3 | 49.9° | 60.4° |
| C3 | C4 | O4 | HO4 | 123.8° | 180.0° |
| C3 | C4 | C5 | H5 | 73.8° | 62.4° |
| O4 | C4 | C5 | H4 | 119.1° | 120.2° |
| O4 | C4 | C5 | O5 | 170.0° | 177.6° |
| O4 | C4 | C5 | C6 | 68.4° | 62.5° |
| O4 | C4 | C3 | H3 | 41.5° | 57.0° |
| O4 | C4 | C5 | H5 | 50.3° | 57.5° |
| C4 | C5 | O5 | C6 | 125.0° | 120.0° |
| C4 | C5 | O5 | H5 | 115.9° | 120.0° |
| C4 | C5 | C6 | H5 | 115.8° | 120.0° |
| C4 | C5 | C6 | O6 | 126.1° | 175.0° |
| C5 | C4 | C3 | H3 | 80.7° | 62.9° |
| C5 | C4 | O4 | HO4 | 0.3° | 60.3° |
| C4 | C5 | C6 | H61 | 6.0° | 54.9° |
| C4 | C5 | C6 | H62 | 113.0° | 65.0° |
| O5 | C5 | C6 | H5 | 120.0° | 120.0° |
| O5 | C5 | C6 | O6 | 109.7° | 65.1° |
| C5 | O5 | C1 | H1 | 50.2° | 58.8° |
| O5 | C5 | C4 | H4 | 70.9° | 62.3° |
| O5 | C5 | C6 | H61 | 130.3° | 174.9° |
| O5 | C5 | C6 | H62 | 11.3° | 55.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.1° |
| C5 | C6 | O6 | H62 | 121.0° | 120.1° |
| C6 | C5 | C4 | H4 | 50.7° | 57.7° |
| C5 | C6 | H61 | H62 | 121.0° | 120.0° |
| C5 | C6 | O6 | HO6 | 5.1° | 180.0° |
| O6 | C6 | C5 | H5 | 10.3° | 55.0° |
| O6 | C6 | H61 | H62 | 121.0° | 119.9° |
| H81C | C8 | H82C | H83C | 120.0° | 120.0° |
| HN21 | N2 | C2 | H2 | 172.5° | 144.9° |
| H2 | C2 | C1 | H1 | 179.2° | 177.7° |
| H2 | C2 | C3 | H3 | 164.9° | 177.2° |
| H1 | C1 | O1 | HO1 | 119.9° | 60.0° |
| H3 | C3 | O3 | HO3 | 68.9° | 59.8° |
| H3 | C3 | C4 | H4 | 160.4° | 177.1° |
| H4 | C4 | O4 | HO4 | 119.4° | 59.8° |
| H4 | C4 | C5 | H5 | 169.4° | 177.7° |
| H5 | C5 | C6 | H61 | 109.7° | 65.1° |
| H5 | C5 | C6 | H62 | 131.3° | 175.0° |
| H61 | C6 | O6 | HO6 | 114.9° | 59.9° |
| H62 | C6 | O6 | HO6 | 126.1° | 59.9° |
