Y70
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
C1 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
C4 | C7 | sing | 1.48Å | 1.51Å | |
C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C5 | C9 | sing | 1.47Å | 1.50Å | |
C6 | N10 | sing | 1.39Å | 1.36Å | |
C7 | N8 | sing | 1.35Å | 1.39Å | |
C7 | O13 | doub | 1.22Å | 1.24Å | |
N8 | C9 | sing | 1.35Å | 1.37Å | |
N8 | C12 | sing | 1.46Å | 1.46Å | |
C9 | O11 | doub | 1.22Å | 1.23Å | |
C12 | C14 | sing | 1.53Å | 1.55Å | |
C12 | C15 | sing | 1.51Å | 1.52Å | |
C14 | C18 | sing | 1.53Å | 1.55Å | |
C15 | N16 | sing | 1.34Å | 1.36Å | |
C15 | O19 | doub | 1.21Å | 1.23Å | |
N16 | C17 | sing | 1.34Å | 1.36Å | |
C17 | C18 | sing | 1.51Å | 1.52Å | |
C17 | O20 | doub | 1.21Å | 1.22Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
N10 | H101 | sing | 0.97Å | 1.00Å | |
N10 | H102 | sing | 0.97Å | 1.00Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
N16 | H16 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 122.1° | 120.4° |
C1 | C2 | C3 | 121.2° | 120.6° |
C2 | C1 | H1 | 118.9° | 119.8° |
C1 | C2 | H2 | 119.4° | 119.7° |
C1 | C6 | C5 | 115.6° | 119.5° |
C1 | C6 | N10 | 124.2° | 120.3° |
C6 | C1 | H1 | 118.9° | 119.8° |
C2 | C3 | C4 | 116.5° | 119.9° |
C3 | C2 | H2 | 119.4° | 119.7° |
C2 | C3 | H3 | 121.8° | 120.0° |
C3 | C4 | C5 | 121.9° | 119.9° |
C3 | C4 | C7 | 131.6° | 134.3° |
C4 | C3 | H3 | 121.8° | 120.1° |
C5 | C4 | C7 | 106.5° | 105.8° |
C4 | C5 | C6 | 122.6° | 119.7° |
C4 | C5 | C9 | 107.0° | 106.0° |
C4 | C7 | N8 | 107.7° | 108.5° |
C4 | C7 | O13 | 120.6° | 125.8° |
C6 | C5 | C9 | 130.4° | 134.4° |
C5 | C6 | N10 | 120.2° | 120.2° |
C5 | C9 | N8 | 108.5° | 108.7° |
C5 | C9 | O11 | 121.9° | 125.7° |
C6 | N10 | H101 | 109.5° | 120.0° |
C6 | N10 | H102 | 109.5° | 120.0° |
N8 | C7 | O13 | 131.7° | 125.7° |
C7 | N8 | C9 | 110.3° | 111.0° |
C7 | N8 | C12 | 126.3° | 124.5° |
C9 | N8 | C12 | 123.4° | 124.5° |
N8 | C9 | O11 | 129.7° | 125.6° |
N8 | C12 | C14 | 109.9° | 109.6° |
N8 | C12 | C15 | 110.9° | 109.5° |
N8 | C12 | H12 | 109.1° | 109.5° |
C14 | C12 | C15 | 110.6° | 109.1° |
C12 | C14 | C18 | 109.0° | 108.6° |
C14 | C12 | H12 | 107.9° | 109.5° |
C12 | C14 | H141 | 109.6° | 109.7° |
C12 | C14 | H142 | 109.6° | 109.7° |
C12 | C15 | N16 | 119.1° | 121.3° |
C12 | C15 | O19 | 119.0° | 119.3° |
C15 | C12 | H12 | 108.3° | 109.5° |
C14 | C18 | C17 | 110.5° | 109.1° |
C18 | C14 | H141 | 109.6° | 109.6° |
C18 | C14 | H142 | 109.6° | 109.6° |
C14 | C18 | H181 | 109.2° | 109.5° |
C14 | C18 | H182 | 109.2° | 109.5° |
N16 | C15 | O19 | 121.9° | 119.4° |
C15 | N16 | C17 | 125.6° | 122.6° |
C15 | N16 | H16 | 117.2° | 118.7° |
N16 | C17 | C18 | 119.2° | 121.3° |
N16 | C17 | O20 | 121.8° | 119.4° |
C17 | N16 | H16 | 117.2° | 118.8° |
C18 | C17 | O20 | 118.9° | 119.4° |
C17 | C18 | H181 | 109.2° | 109.5° |
C17 | C18 | H182 | 109.2° | 109.5° |
H101 | N10 | H102 | 109.4° | 120.0° |
H141 | C14 | H142 | 109.5° | 109.8° |
H181 | C18 | H182 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | H1 | 180.0° | 179.7° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 1.3° | 0.1° |
C2 | C1 | C6 | C5 | 0.0° | 0.0° |
C2 | C1 | C6 | N10 | 179.6° | 179.9° |
C1 | C2 | C3 | H3 | 178.7° | 180.0° |
C6 | C1 | C2 | C3 | 1.4° | 0.0° |
C1 | C6 | C5 | C4 | 1.5° | 0.0° |
C1 | C6 | C5 | N10 | 179.6° | 179.9° |
C1 | C6 | C5 | C9 | 180.0° | 180.0° |
C6 | C1 | C2 | H2 | 178.6° | 180.0° |
C1 | C6 | N10 | H101 | 180.0° | 0.0° |
C1 | C6 | N10 | H102 | 60.0° | 180.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.2° | 0.1° |
C2 | C3 | C4 | C7 | 179.0° | 180.0° |
C3 | C2 | C1 | H1 | 178.6° | 179.7° |
C3 | C4 | C5 | C7 | 179.1° | 180.0° |
C3 | C4 | C5 | C6 | 1.7° | 0.0° |
C3 | C4 | C5 | C9 | 179.6° | 179.9° |
C3 | C4 | C7 | N8 | 178.8° | 179.9° |
C3 | C4 | C7 | O13 | 1.8° | 0.0° |
C4 | C3 | C2 | H2 | 178.7° | 180.0° |
C4 | C5 | C6 | C9 | 178.5° | 179.9° |
C4 | C5 | C6 | N10 | 178.1° | 179.9° |
C5 | C4 | C7 | N8 | 0.1° | 0.0° |
C5 | C4 | C7 | O13 | 179.2° | 179.9° |
C4 | C5 | C9 | N8 | 1.0° | 0.0° |
C4 | C5 | C9 | O11 | 178.3° | 179.9° |
C5 | C4 | C3 | H3 | 179.8° | 180.0° |
C7 | C4 | C5 | C6 | 179.3° | 180.0° |
C7 | C4 | C5 | C9 | 0.5° | 0.0° |
C4 | C7 | N8 | O13 | 179.3° | 179.9° |
C4 | C7 | N8 | C9 | 0.8° | 0.0° |
C4 | C7 | N8 | C12 | 178.0° | 180.0° |
C7 | C4 | C3 | H3 | 1.0° | 0.0° |
C6 | C5 | C9 | N8 | 179.6° | 180.0° |
C6 | C5 | C9 | O11 | 0.3° | 0.1° |
C5 | C6 | C1 | H1 | 180.0° | 179.7° |
C5 | C6 | N10 | H101 | 0.4° | 179.9° |
C5 | C6 | N10 | H102 | 120.4° | 0.1° |
C9 | C5 | C6 | N10 | 0.4° | 0.1° |
C5 | C9 | N8 | C7 | 1.1° | 0.0° |
C5 | C9 | N8 | O11 | 179.2° | 179.9° |
C5 | C9 | N8 | C12 | 178.4° | 180.0° |
N10 | C6 | C1 | H1 | 0.4° | 0.2° |
C6 | N10 | H101 | H102 | 120.0° | 180.0° |
C7 | N8 | C9 | C12 | 177.3° | 180.0° |
C7 | N8 | C9 | O11 | 178.1° | 179.9° |
C7 | N8 | C12 | C14 | 109.0° | 105.2° |
C7 | N8 | C12 | C15 | 128.3° | 135.1° |
C7 | N8 | C12 | H12 | 9.1° | 14.9° |
O13 | C7 | N8 | C9 | 178.5° | 179.9° |
O13 | C7 | N8 | C12 | 1.3° | 0.1° |
C9 | N8 | C12 | C14 | 74.1° | 74.7° |
C9 | N8 | C12 | C15 | 48.5° | 44.9° |
C9 | N8 | C12 | H12 | 167.7° | 165.1° |
C12 | N8 | C9 | O11 | 0.8° | 0.0° |
N8 | C12 | C14 | C15 | 122.8° | 119.9° |
N8 | C12 | C14 | H12 | 118.9° | 120.2° |
N8 | C12 | C15 | H12 | 119.7° | 120.2° |
N8 | C12 | C14 | C18 | 176.5° | 64.3° |
N8 | C12 | C15 | N16 | 149.8° | 90.8° |
N8 | C12 | C15 | O19 | 32.0° | 89.2° |
N8 | C12 | C14 | H141 | 63.6° | 176.0° |
N8 | C12 | C14 | H142 | 56.5° | 55.4° |
C14 | C12 | C15 | H12 | 118.1° | 119.9° |
C12 | C14 | C18 | H141 | 119.9° | 119.8° |
C12 | C14 | C18 | H142 | 119.9° | 119.7° |
C14 | C12 | C15 | N16 | 27.6° | 29.1° |
C14 | C12 | C15 | O19 | 154.2° | 150.9° |
C12 | C14 | C18 | C17 | 54.0° | 55.6° |
C12 | C14 | H141 | H142 | 120.2° | 120.5° |
C12 | C14 | C18 | H181 | 66.2° | 175.5° |
C12 | C14 | C18 | H182 | 174.2° | 64.3° |
C15 | C12 | C14 | C18 | 53.7° | 55.7° |
C12 | C15 | N16 | O19 | 178.1° | 180.0° |
C12 | C15 | N16 | C17 | 0.2° | 0.6° |
C15 | C12 | C14 | H141 | 173.6° | 64.1° |
C15 | C12 | C14 | H142 | 66.2° | 175.3° |
C12 | C15 | N16 | H16 | 179.8° | 179.4° |
C14 | C18 | C17 | N16 | 28.3° | 29.1° |
C14 | C18 | C17 | H181 | 120.1° | 119.9° |
C14 | C18 | C17 | H182 | 120.2° | 119.9° |
C14 | C18 | C17 | O20 | 153.9° | 150.9° |
C18 | C14 | C12 | H12 | 64.6° | 175.6° |
C18 | C14 | H141 | H142 | 120.2° | 120.4° |
C14 | C18 | H181 | H182 | 119.5° | 120.2° |
C15 | N16 | C17 | H16 | 180.0° | 179.9° |
C15 | N16 | C17 | C18 | 0.1° | 0.5° |
C15 | N16 | C17 | O20 | 177.9° | 179.5° |
N16 | C15 | C12 | H12 | 90.5° | 149.0° |
O19 | C15 | N16 | C17 | 177.9° | 179.5° |
O19 | C15 | C12 | H12 | 87.7° | 31.0° |
O19 | C15 | N16 | H16 | 2.2° | 0.6° |
N16 | C17 | C18 | O20 | 177.8° | 180.0° |
N16 | C17 | C18 | H181 | 91.9° | 149.0° |
N16 | C17 | C18 | H182 | 148.4° | 90.9° |
C17 | C18 | C14 | H141 | 173.9° | 64.1° |
C17 | C18 | C14 | H142 | 66.0° | 175.4° |
C17 | C18 | H181 | H182 | 119.5° | 120.1° |
C18 | C17 | N16 | H16 | 179.9° | 179.4° |
O20 | C17 | C18 | H181 | 86.0° | 31.0° |
O20 | C17 | C18 | H182 | 33.7° | 89.1° |
O20 | C17 | N16 | H16 | 2.1° | 0.6° |
H1 | C1 | C2 | H2 | 1.4° | 0.3° |
H2 | C2 | C3 | H3 | 1.2° | 0.0° |
H12 | C12 | C14 | H141 | 55.3° | 55.8° |
H12 | C12 | C14 | H142 | 175.4° | 64.8° |
H141 | C14 | C18 | H181 | 53.8° | 55.8° |
H141 | C14 | C18 | H182 | 65.9° | 176.0° |
H142 | C14 | C18 | H181 | 173.9° | 64.7° |
H142 | C14 | C18 | H182 | 54.2° | 55.5° |