C8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| O01 | C02 | sing | 1.34Å | 1.24Å | |
| C02 | C04 | sing | 1.51Å | 1.52Å | |
| O26 | C25 | doub | 1.22Å | 1.23Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | N27 | sing | 1.46Å | 1.47Å | |
| C05 | S06 | sing | 1.82Å | 1.82Å | |
| C25 | N27 | sing | 1.37Å | 1.42Å | |
| C25 | C24 | sing | 1.39Å | 1.46Å | |
| N27 | C07 | sing | 1.36Å | 1.39Å | |
| C24 | C12 | doub | 1.38Å | 1.36Å | |
| S06 | C07 | sing | 1.77Å | 1.76Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | |
| C12 | C08 | sing | 1.39Å | 1.44Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C08 | N09 | sing | 1.40Å | 1.43Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C11 | N09 | sing | 1.47Å | 1.47Å | |
| N09 | C10 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C23 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.42Å | Aromatic |
| C23 | C18 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.36Å | 1.38Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | O01 | 125.9° | 120.0° |
| O03 | C02 | C04 | 115.5° | 120.0° |
| O01 | C02 | C04 | 118.6° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C02 | C04 | C05 | 111.1° | 108.8° |
| C02 | C04 | N27 | 111.0° | 108.8° |
| C02 | C04 | H041 | 108.6° | 108.8° |
| O26 | C25 | N27 | 120.8° | 119.2° |
| O26 | C25 | C24 | 121.7° | 119.1° |
| C05 | C04 | N27 | 108.1° | 112.8° |
| C04 | C05 | S06 | 106.4° | 104.2° |
| C05 | C04 | H041 | 108.7° | 108.8° |
| C04 | C05 | H052 | 110.2° | 110.4° |
| C04 | C05 | H051 | 110.2° | 110.5° |
| C04 | N27 | C25 | 121.6° | 124.7° |
| C04 | N27 | C07 | 116.3° | 116.7° |
| N27 | C04 | H041 | 109.3° | 108.7° |
| C05 | S06 | C07 | 93.0° | 96.2° |
| S06 | C05 | H052 | 110.2° | 110.5° |
| S06 | C05 | H051 | 110.3° | 110.5° |
| N27 | C25 | C24 | 117.4° | 121.7° |
| C25 | N27 | C07 | 122.1° | 118.6° |
| C25 | C24 | C12 | 119.7° | 119.7° |
| C25 | C24 | H241 | 120.2° | 120.1° |
| N27 | C07 | S06 | 110.7° | 110.0° |
| N27 | C07 | C08 | 120.0° | 121.3° |
| C24 | C12 | C08 | 121.5° | 118.4° |
| C24 | C12 | C13 | 122.2° | 120.8° |
| C12 | C24 | H241 | 120.2° | 120.2° |
| S06 | C07 | C08 | 129.3° | 128.7° |
| C07 | C08 | C12 | 119.3° | 120.4° |
| C07 | C08 | N09 | 120.1° | 119.7° |
| C08 | C12 | C13 | 116.3° | 120.8° |
| C12 | C08 | N09 | 120.6° | 119.8° |
| C12 | C13 | C14 | 112.4° | 109.5° |
| C12 | C13 | H132 | 108.7° | 109.5° |
| C12 | C13 | H131 | 108.7° | 109.5° |
| C08 | N09 | C11 | 115.5° | 109.4° |
| C08 | N09 | C10 | 115.3° | 109.5° |
| C08 | N09 | H091 | 104.5° | 109.5° |
| C13 | C14 | C15 | 120.1° | 120.2° |
| C13 | C14 | C23 | 123.3° | 120.2° |
| C14 | C13 | H132 | 108.7° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.4° |
| C11 | N09 | C10 | 111.4° | 109.5° |
| N09 | C11 | H112 | 109.5° | 109.5° |
| N09 | C11 | H113 | 109.5° | 109.5° |
| N09 | C11 | H111 | 109.5° | 109.5° |
| C11 | N09 | H091 | 104.2° | 109.5° |
| N09 | C10 | H101 | 109.5° | 109.5° |
| N09 | C10 | H103 | 109.5° | 109.5° |
| N09 | C10 | H102 | 109.4° | 109.4° |
| C10 | N09 | H091 | 104.2° | 109.5° |
| C14 | C15 | C16 | 123.6° | 121.0° |
| C15 | C14 | C23 | 116.7° | 119.6° |
| C14 | C15 | H151 | 118.2° | 119.5° |
| C15 | C16 | C17 | 119.6° | 121.0° |
| C16 | C15 | H151 | 118.2° | 119.5° |
| C15 | C16 | H161 | 120.2° | 119.5° |
| C14 | C23 | C22 | 120.2° | 121.3° |
| C14 | C23 | C18 | 121.2° | 119.4° |
| C16 | C17 | C18 | 119.5° | 119.6° |
| C17 | C16 | H161 | 120.2° | 119.5° |
| C16 | C17 | H171 | 120.3° | 120.2° |
| C22 | C23 | C18 | 118.6° | 119.4° |
| C23 | C22 | C21 | 120.8° | 119.7° |
| C23 | C22 | H221 | 119.6° | 120.1° |
| C23 | C18 | C17 | 119.3° | 119.4° |
| C23 | C18 | C19 | 119.8° | 119.3° |
| C17 | C18 | C19 | 120.9° | 121.3° |
| C18 | C17 | H171 | 120.2° | 120.2° |
| C22 | C21 | C20 | 120.2° | 121.0° |
| C22 | C21 | H211 | 119.9° | 119.5° |
| C21 | C22 | H221 | 119.6° | 120.2° |
| C18 | C19 | C20 | 120.1° | 119.7° |
| C18 | C19 | H191 | 120.0° | 120.2° |
| C21 | C20 | C19 | 120.6° | 121.0° |
| C21 | C20 | H201 | 119.7° | 119.5° |
| C20 | C21 | H211 | 119.9° | 119.5° |
| C20 | C19 | H191 | 120.0° | 120.2° |
| C19 | C20 | H201 | 119.7° | 119.5° |
| H052 | C05 | H051 | 109.5° | 110.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H113 | C11 | H111 | 109.4° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | O01 | C04 | 179.9° | 179.9° |
| O03 | C02 | C04 | C05 | 140.8° | 118.6° |
| O03 | C02 | C04 | N27 | 99.0° | 4.7° |
| O03 | C02 | O01 | H1 | 0.0° | 0.1° |
| O03 | C02 | C04 | H041 | 21.3° | 123.0° |
| O01 | C02 | C04 | C05 | 39.3° | 61.5° |
| O01 | C02 | C04 | N27 | 81.0° | 175.2° |
| O01 | C02 | C04 | H041 | 158.8° | 56.9° |
| C02 | C04 | C05 | N27 | 122.0° | 120.9° |
| C02 | C04 | C05 | H041 | 119.5° | 118.4° |
| C02 | C04 | N27 | H041 | 119.8° | 118.3° |
| C02 | C04 | C05 | S06 | 145.2° | 120.9° |
| C02 | C04 | N27 | C25 | 41.4° | 59.1° |
| C02 | C04 | N27 | C07 | 136.4° | 120.9° |
| C04 | C02 | O01 | H1 | 179.9° | 180.0° |
| C02 | C04 | C05 | H052 | 95.3° | 120.5° |
| C02 | C04 | C05 | H051 | 25.7° | 2.2° |
| O26 | C25 | N27 | C04 | 2.4° | 0.0° |
| O26 | C25 | N27 | C24 | 180.0° | 180.0° |
| O26 | C25 | N27 | C07 | 179.9° | 180.0° |
| O26 | C25 | C24 | C12 | 179.9° | 180.0° |
| O26 | C25 | C24 | H241 | 0.1° | 0.0° |
| C05 | C04 | N27 | H041 | 118.2° | 120.8° |
| C04 | C05 | S06 | H052 | 119.5° | 118.6° |
| C04 | C05 | S06 | H051 | 119.5° | 118.7° |
| C05 | C04 | N27 | C25 | 163.5° | 180.0° |
| C05 | C04 | N27 | C07 | 14.3° | 0.0° |
| C04 | C05 | S06 | C07 | 21.7° | 0.0° |
| C04 | C05 | H052 | H051 | 121.4° | 122.6° |
| N27 | C04 | C05 | S06 | 23.3° | 0.0° |
| C04 | N27 | C25 | C07 | 177.7° | 180.0° |
| C04 | N27 | C25 | C24 | 177.6° | 180.0° |
| C04 | N27 | C07 | S06 | 2.3° | 0.0° |
| C04 | N27 | C07 | C08 | 177.7° | 179.9° |
| N27 | C04 | C05 | H052 | 142.8° | 118.7° |
| N27 | C04 | C05 | H051 | 96.3° | 118.7° |
| C05 | S06 | C07 | N27 | 14.4° | 0.0° |
| C05 | S06 | C07 | C08 | 165.5° | 179.9° |
| S06 | C05 | C04 | H041 | 95.3° | 120.7° |
| S06 | C05 | H052 | H051 | 121.4° | 122.7° |
| N27 | C25 | C24 | C12 | 0.0° | 0.0° |
| C25 | N27 | C07 | S06 | 179.9° | 180.0° |
| C25 | N27 | C07 | C08 | 0.1° | 0.0° |
| C25 | N27 | C04 | H041 | 78.4° | 59.2° |
| N27 | C25 | C24 | H241 | 180.0° | 179.9° |
| C24 | C25 | N27 | C07 | 0.1° | 0.0° |
| C25 | C24 | C12 | H241 | 180.0° | 180.0° |
| C25 | C24 | C12 | C08 | 0.0° | 0.0° |
| C25 | C24 | C12 | C13 | 180.0° | 179.9° |
| N27 | C07 | S06 | C08 | 179.9° | 179.9° |
| N27 | C07 | C08 | C12 | 0.1° | 0.0° |
| N27 | C07 | C08 | N09 | 179.9° | 180.0° |
| C07 | N27 | C04 | H041 | 103.8° | 120.8° |
| C24 | C12 | C08 | C07 | 0.0° | 0.0° |
| C24 | C12 | C08 | C13 | 180.0° | 179.9° |
| C24 | C12 | C08 | N09 | 180.0° | 180.0° |
| C24 | C12 | C13 | C14 | 79.3° | 7.3° |
| C24 | C12 | C13 | H132 | 160.3° | 112.7° |
| C24 | C12 | C13 | H131 | 41.1° | 127.3° |
| S06 | C07 | C08 | C12 | 180.0° | 179.9° |
| S06 | C07 | C08 | N09 | 0.0° | 0.1° |
| C07 | S06 | C05 | H052 | 141.2° | 118.6° |
| C07 | S06 | C05 | H051 | 97.8° | 118.7° |
| C07 | C08 | C12 | N09 | 180.0° | 180.0° |
| C07 | C08 | C12 | C13 | 180.0° | 179.9° |
| C07 | C08 | N09 | C11 | 51.7° | 126.5° |
| C07 | C08 | N09 | C10 | 80.6° | 113.6° |
| C07 | C08 | N09 | H091 | 165.6° | 6.5° |
| C08 | C12 | C13 | C14 | 100.7° | 172.8° |
| C12 | C08 | N09 | C11 | 128.3° | 53.5° |
| C12 | C08 | N09 | C10 | 99.3° | 66.4° |
| C08 | C12 | C13 | H132 | 19.7° | 67.2° |
| C08 | C12 | C13 | H131 | 138.8° | 52.8° |
| C08 | C12 | C24 | H241 | 180.0° | 179.9° |
| C12 | C08 | N09 | H091 | 14.5° | 173.5° |
| C13 | C12 | C08 | N09 | 0.0° | 0.1° |
| C12 | C13 | C14 | H132 | 120.5° | 120.0° |
| C12 | C13 | C14 | H131 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 64.1° | 101.3° |
| C12 | C13 | C14 | C23 | 115.9° | 78.4° |
| C12 | C13 | H132 | H131 | 118.7° | 120.0° |
| C13 | C12 | C24 | H241 | 0.0° | 0.0° |
| C08 | N09 | C11 | C10 | 134.1° | 120.0° |
| C08 | N09 | C11 | H091 | 114.1° | 120.0° |
| C08 | N09 | C10 | H091 | 114.0° | 120.0° |
| C08 | N09 | C10 | H101 | 180.0° | 85.2° |
| C08 | N09 | C10 | H103 | 60.0° | 154.8° |
| C08 | N09 | C10 | H102 | 60.0° | 34.8° |
| C08 | N09 | C11 | H112 | 180.0° | 34.7° |
| C08 | N09 | C11 | H113 | 60.0° | 154.7° |
| C08 | N09 | C11 | H111 | 60.0° | 85.3° |
| C13 | C14 | C15 | C23 | 179.9° | 179.8° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C13 | C14 | C23 | C22 | 0.0° | 0.6° |
| C13 | C14 | C23 | C18 | 180.0° | 179.7° |
| C14 | C13 | H132 | H131 | 118.7° | 120.0° |
| C13 | C14 | C15 | H151 | 0.0° | 0.0° |
| C11 | N09 | C10 | H091 | 111.8° | 120.0° |
| C11 | N09 | C10 | H101 | 45.8° | 34.8° |
| C11 | N09 | C10 | H103 | 165.8° | 85.2° |
| C11 | N09 | C10 | H102 | 74.2° | 154.8° |
| N09 | C11 | H112 | H113 | 120.0° | 120.0° |
| N09 | C11 | H112 | H111 | 120.0° | 120.0° |
| N09 | C11 | H113 | H111 | 120.0° | 120.0° |
| N09 | C10 | H101 | H103 | 120.0° | 120.0° |
| N09 | C10 | H101 | H102 | 120.0° | 120.0° |
| N09 | C10 | H103 | H102 | 120.0° | 120.0° |
| C10 | N09 | C11 | H112 | 45.8° | 154.6° |
| C10 | N09 | C11 | H113 | 74.1° | 85.3° |
| C10 | N09 | C11 | H111 | 165.9° | 34.7° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C23 | C22 | 180.0° | 179.6° |
| C15 | C14 | C23 | C18 | 0.1° | 0.5° |
| C15 | C14 | C13 | H132 | 175.4° | 138.6° |
| C15 | C14 | C13 | H131 | 56.3° | 18.6° |
| C14 | C15 | C16 | H161 | 180.0° | 180.0° |
| C16 | C15 | C14 | C23 | 0.0° | 0.2° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H171 | 179.9° | 179.9° |
| C14 | C23 | C22 | C18 | 180.0° | 179.1° |
| C14 | C23 | C18 | C17 | 0.1° | 0.6° |
| C14 | C23 | C22 | C21 | 180.0° | 179.7° |
| C14 | C23 | C18 | C19 | 180.0° | 179.7° |
| C23 | C14 | C13 | H132 | 4.5° | 41.6° |
| C23 | C14 | C13 | H131 | 123.6° | 161.6° |
| C23 | C14 | C15 | H151 | 180.0° | 179.8° |
| C14 | C23 | C22 | H221 | 0.0° | 0.5° |
| C16 | C17 | C18 | C23 | 0.1° | 0.4° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H151 | 180.0° | 180.0° |
| C22 | C23 | C18 | C17 | 180.0° | 179.7° |
| C23 | C22 | C21 | H221 | 180.0° | 179.8° |
| C22 | C23 | C18 | C19 | 0.0° | 0.6° |
| C23 | C22 | C21 | C20 | 0.0° | 0.3° |
| C23 | C22 | C21 | H211 | 180.0° | 179.8° |
| C23 | C18 | C17 | C19 | 179.9° | 179.6° |
| C18 | C23 | C22 | C21 | 0.0° | 0.6° |
| C23 | C18 | C19 | C20 | 0.0° | 0.3° |
| C23 | C18 | C17 | H171 | 179.9° | 179.7° |
| C23 | C18 | C19 | H191 | 180.0° | 179.7° |
| C18 | C23 | C22 | H221 | 180.0° | 179.6° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C18 | C17 | C16 | H161 | 179.9° | 179.9° |
| C17 | C18 | C19 | H191 | 0.1° | 0.1° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C22 | C21 | C20 | H201 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C19 | C18 | C17 | H171 | 0.0° | 0.1° |
| C18 | C19 | C20 | H201 | 180.0° | 180.0° |
| C21 | C20 | C19 | H201 | 180.0° | 180.0° |
| C21 | C20 | C19 | H191 | 180.0° | 180.0° |
| C20 | C21 | C22 | H221 | 180.0° | 179.9° |
| C19 | C20 | C21 | H211 | 180.0° | 179.9° |
| H041 | C04 | C05 | H052 | 24.2° | 2.1° |
| H041 | C04 | C05 | H051 | 145.2° | 120.6° |
| H101 | C10 | H103 | H102 | 120.0° | 120.0° |
| H101 | C10 | N09 | H091 | 66.0° | 154.8° |
| H103 | C10 | N09 | H091 | 54.0° | 34.8° |
| H102 | C10 | N09 | H091 | 174.0° | 85.2° |
| H112 | C11 | H113 | H111 | 120.0° | 120.0° |
| H112 | C11 | N09 | H091 | 66.0° | 85.3° |
| H113 | C11 | N09 | H091 | 174.0° | 34.7° |
| H111 | C11 | N09 | H091 | 54.1° | 154.7° |
| H151 | C15 | C16 | H161 | 0.0° | 0.0° |
| H161 | C16 | C17 | H171 | 0.1° | 0.1° |
| H191 | C19 | C20 | H201 | 0.0° | 0.0° |
| H201 | C20 | C21 | H211 | 0.0° | 0.1° |
| H211 | C21 | C22 | H221 | 0.0° | 0.0° |
