V6N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N8 | N9 | sing | 1.29Å | 1.36Å | Aromatic |
N8 | C7 | sing | 1.34Å | 1.32Å | Aromatic |
N9 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
C7 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
N24 | C12 | trip | 1.14Å | 1.16Å | |
C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.48Å | 1.41Å | Aromatic |
C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.43Å | 1.43Å | |
C1 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
C1 | C10 | sing | 1.46Å | 1.47Å | |
C5 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
C11 | C10 | doub | 1.38Å | 1.35Å | |
C11 | C13 | sing | 1.47Å | 1.42Å | |
N15 | C13 | sing | 1.35Å | 1.33Å | |
N15 | C16 | sing | 1.47Å | 1.46Å | |
C13 | O14 | doub | 1.22Å | 1.25Å | |
C16 | C17 | sing | 1.53Å | 1.51Å | |
C23 | C22 | sing | 1.53Å | 1.51Å | |
C23 | N18 | sing | 1.47Å | 1.47Å | |
C17 | N18 | sing | 1.47Å | 1.47Å | |
C22 | O21 | sing | 1.43Å | 1.42Å | |
N18 | C19 | sing | 1.47Å | 1.47Å | |
O21 | C20 | sing | 1.43Å | 1.42Å | |
C19 | C20 | sing | 1.53Å | 1.51Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C16 | H2 | sing | 1.09Å | 1.10Å | |
C16 | H3 | sing | 1.09Å | 1.10Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
C17 | H5 | sing | 1.09Å | 1.10Å | |
C19 | H6 | sing | 1.09Å | 1.10Å | |
C19 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.08Å | 1.08Å | |
C20 | H9 | sing | 1.09Å | 1.10Å | |
C20 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C22 | H12 | sing | 1.09Å | 1.10Å | |
C23 | H13 | sing | 1.09Å | 1.10Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
C5 | H15 | sing | 1.08Å | 1.08Å | |
C6 | H16 | sing | 1.08Å | 1.08Å | |
C7 | H17 | sing | 1.08Å | 1.08Å | |
N15 | H18 | sing | 0.97Å | 1.00Å | |
N8 | H20 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N9 | N8 | C7 | 106.6° | 112.1° |
N8 | N9 | C3 | 111.5° | 110.7° |
N9 | N8 | H20 | 126.7° | 123.9° |
N8 | C7 | C4 | 110.7° | 107.0° |
N8 | C7 | H17 | 124.6° | 126.5° |
C7 | N8 | H20 | 126.7° | 124.0° |
N9 | C3 | C2 | 131.4° | 135.6° |
N9 | C3 | C4 | 106.5° | 105.8° |
C7 | C4 | C3 | 104.7° | 104.4° |
C7 | C4 | C5 | 136.0° | 136.2° |
C4 | C7 | H17 | 124.7° | 126.5° |
N24 | C12 | C11 | 176.1° | 180.0° |
C2 | C3 | C4 | 122.1° | 118.6° |
C3 | C2 | C1 | 118.2° | 119.3° |
C3 | C2 | H8 | 120.9° | 120.3° |
C3 | C4 | C5 | 119.3° | 119.4° |
C2 | C1 | C6 | 120.1° | 121.3° |
C2 | C1 | C10 | 122.3° | 119.3° |
C1 | C2 | H8 | 120.9° | 120.4° |
C4 | C5 | C6 | 118.4° | 119.9° |
C4 | C5 | H15 | 120.8° | 120.0° |
C12 | C11 | C10 | 122.4° | 120.0° |
C12 | C11 | C13 | 120.9° | 120.0° |
C6 | C1 | C10 | 117.6° | 119.4° |
C1 | C6 | C5 | 122.0° | 121.5° |
C1 | C6 | H16 | 119.0° | 119.2° |
C1 | C10 | C11 | 133.5° | 120.0° |
C1 | C10 | H1 | 113.2° | 120.0° |
C6 | C5 | H15 | 120.8° | 120.1° |
C5 | C6 | H16 | 119.0° | 119.2° |
C10 | C11 | C13 | 116.6° | 120.0° |
C11 | C10 | H1 | 113.3° | 120.0° |
C11 | C13 | N15 | 119.1° | 120.0° |
C11 | C13 | O14 | 118.0° | 120.0° |
C13 | N15 | C16 | 123.5° | 120.0° |
N15 | C13 | O14 | 122.8° | 120.0° |
C13 | N15 | H18 | 118.3° | 120.0° |
N15 | C16 | C17 | 114.9° | 109.4° |
N15 | C16 | H2 | 108.1° | 109.5° |
N15 | C16 | H3 | 108.1° | 109.5° |
C16 | N15 | H18 | 118.2° | 120.0° |
C16 | C17 | N18 | 111.4° | 109.4° |
C17 | C16 | H2 | 108.1° | 109.5° |
C17 | C16 | H3 | 108.1° | 109.5° |
C16 | C17 | H4 | 109.0° | 109.4° |
C16 | C17 | H5 | 109.0° | 109.5° |
C22 | C23 | N18 | 110.8° | 109.3° |
C23 | C22 | O21 | 111.5° | 109.3° |
C23 | C22 | H11 | 109.0° | 109.5° |
C23 | C22 | H12 | 108.9° | 109.5° |
C22 | C23 | H13 | 109.1° | 109.5° |
C22 | C23 | H14 | 109.1° | 109.4° |
C23 | N18 | C17 | 111.6° | 111.0° |
C23 | N18 | C19 | 109.3° | 110.7° |
N18 | C23 | H13 | 109.1° | 109.5° |
N18 | C23 | H14 | 109.2° | 109.5° |
C17 | N18 | C19 | 112.5° | 111.0° |
N18 | C17 | H4 | 109.0° | 109.5° |
N18 | C17 | H5 | 109.0° | 109.5° |
C22 | O21 | C20 | 109.6° | 113.7° |
O21 | C22 | H11 | 109.0° | 109.5° |
O21 | C22 | H12 | 109.0° | 109.5° |
N18 | C19 | C20 | 110.5° | 109.3° |
N18 | C19 | H6 | 109.2° | 109.5° |
N18 | C19 | H7 | 109.2° | 109.6° |
O21 | C20 | C19 | 112.2° | 109.3° |
O21 | C20 | H9 | 108.8° | 109.5° |
O21 | C20 | H10 | 108.8° | 109.6° |
C20 | C19 | H6 | 109.2° | 109.5° |
C20 | C19 | H7 | 109.2° | 109.5° |
C19 | C20 | H9 | 108.8° | 109.5° |
C19 | C20 | H10 | 108.8° | 109.5° |
H2 | C16 | H3 | 109.5° | 109.5° |
H4 | C17 | H5 | 109.5° | 109.5° |
H6 | C19 | H7 | 109.4° | 109.5° |
H9 | C20 | H10 | 109.5° | 109.5° |
H11 | C22 | H12 | 109.5° | 109.5° |
H13 | C23 | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N9 | N8 | C7 | H20 | 180.0° | 179.9° |
N9 | N8 | C7 | C4 | 0.2° | 0.0° |
N8 | N9 | C3 | C2 | 179.6° | 180.0° |
N8 | N9 | C3 | C4 | 0.3° | 0.0° |
N9 | N8 | C7 | H17 | 179.8° | 180.0° |
C7 | N8 | N9 | C3 | 0.1° | 0.1° |
N8 | C7 | C4 | H17 | 180.0° | 180.0° |
N8 | C7 | C4 | C3 | 0.3° | 0.0° |
N8 | C7 | C4 | C5 | 179.6° | 180.0° |
N9 | C3 | C4 | C7 | 0.3° | 0.0° |
N9 | C3 | C2 | C4 | 179.8° | 180.0° |
N9 | C3 | C2 | C1 | 179.7° | 180.0° |
N9 | C3 | C4 | C5 | 179.8° | 180.0° |
N9 | C3 | C2 | H8 | 0.3° | 0.1° |
C3 | N9 | N8 | H20 | 179.9° | 180.0° |
C7 | C4 | C3 | C2 | 179.5° | 180.0° |
C7 | C4 | C3 | C5 | 179.4° | 180.0° |
C7 | C4 | C5 | C6 | 179.5° | 180.0° |
C7 | C4 | C5 | H15 | 0.5° | 0.0° |
C4 | C7 | N8 | H20 | 179.9° | 180.0° |
N24 | C12 | C11 | C10 | 83.9° | 73.8° |
N24 | C12 | C11 | C13 | 94.4° | 106.3° |
C3 | C2 | C1 | H8 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 0.1° | 0.0° |
C3 | C2 | C1 | C6 | 0.3° | 0.1° |
C3 | C2 | C1 | C10 | 179.3° | 179.7° |
C4 | C3 | C2 | C1 | 0.1° | 0.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.0° |
C4 | C3 | C2 | H8 | 179.9° | 179.9° |
C3 | C4 | C5 | H15 | 179.7° | 180.0° |
C3 | C4 | C7 | H17 | 179.7° | 180.0° |
C2 | C1 | C6 | C10 | 179.0° | 179.7° |
C2 | C1 | C6 | C5 | 0.6° | 0.0° |
C2 | C1 | C10 | C11 | 5.3° | 31.6° |
C2 | C1 | C10 | H1 | 174.7° | 148.4° |
C2 | C1 | C6 | H16 | 179.4° | 179.7° |
C4 | C5 | C6 | C1 | 0.5° | 0.0° |
C4 | C5 | C6 | H15 | 180.0° | 180.0° |
C4 | C5 | C6 | H16 | 179.5° | 179.7° |
C5 | C4 | C7 | H17 | 0.4° | 0.0° |
C12 | C11 | C10 | C1 | 4.8° | 7.0° |
C12 | C11 | C10 | C13 | 178.4° | 179.9° |
C12 | C11 | C13 | N15 | 6.8° | 0.1° |
C12 | C11 | C13 | O14 | 176.0° | 180.0° |
C12 | C11 | C10 | H1 | 175.2° | 172.9° |
C1 | C6 | C5 | H16 | 180.0° | 179.7° |
C6 | C1 | C10 | C11 | 175.7° | 148.7° |
C6 | C1 | C10 | H1 | 4.3° | 31.2° |
C6 | C1 | C2 | H8 | 179.7° | 179.9° |
C1 | C6 | C5 | H15 | 179.5° | 180.0° |
C10 | C1 | C6 | C5 | 179.6° | 179.7° |
C1 | C10 | C11 | H1 | 180.0° | 179.9° |
C1 | C10 | C11 | C13 | 173.6° | 172.9° |
C10 | C1 | C2 | H8 | 0.7° | 0.4° |
C10 | C1 | C6 | H16 | 0.4° | 0.0° |
C10 | C11 | C13 | N15 | 174.8° | 180.0° |
C10 | C11 | C13 | O14 | 2.4° | 0.1° |
C11 | C13 | N15 | O14 | 177.1° | 179.9° |
C11 | C13 | N15 | C16 | 135.0° | 180.0° |
C13 | C11 | C10 | H1 | 6.4° | 7.1° |
C11 | C13 | N15 | H18 | 44.9° | 0.1° |
C13 | N15 | C16 | H18 | 180.0° | 179.9° |
C13 | N15 | C16 | C17 | 65.9° | 179.9° |
C13 | N15 | C16 | H2 | 173.3° | 60.0° |
C13 | N15 | C16 | H3 | 54.9° | 60.1° |
C16 | N15 | C13 | O14 | 47.9° | 0.1° |
N15 | C16 | C17 | H2 | 120.8° | 120.0° |
N15 | C16 | C17 | H3 | 120.8° | 120.0° |
N15 | C16 | C17 | N18 | 168.5° | 180.0° |
N15 | C16 | H2 | H3 | 117.5° | 120.0° |
N15 | C16 | C17 | H4 | 71.2° | 60.0° |
N15 | C16 | C17 | H5 | 48.2° | 60.0° |
O14 | C13 | N15 | H18 | 132.1° | 180.0° |
C16 | C17 | N18 | C23 | 68.3° | 170.0° |
C16 | C17 | N18 | H4 | 120.3° | 120.0° |
C16 | C17 | N18 | H5 | 120.3° | 120.0° |
C16 | C17 | N18 | C19 | 168.5° | 66.4° |
C17 | C16 | H2 | H3 | 117.5° | 120.0° |
C16 | C17 | H4 | H5 | 119.1° | 120.0° |
C17 | C16 | N15 | H18 | 114.1° | 0.0° |
C22 | C23 | N18 | H13 | 120.2° | 120.0° |
C22 | C23 | N18 | H14 | 120.2° | 119.9° |
C22 | C23 | N18 | C17 | 179.5° | 177.6° |
C23 | C22 | O21 | H11 | 120.3° | 120.0° |
C23 | C22 | O21 | H12 | 120.3° | 120.0° |
C22 | C23 | N18 | C19 | 55.4° | 58.6° |
C23 | C22 | O21 | C20 | 58.2° | 58.6° |
C23 | C22 | H11 | H12 | 119.0° | 120.1° |
C22 | C23 | H13 | H14 | 119.4° | 120.0° |
C23 | N18 | C17 | C19 | 123.3° | 123.6° |
N18 | C23 | C22 | O21 | 58.1° | 56.8° |
C23 | N18 | C19 | C20 | 54.8° | 58.6° |
C23 | N18 | C17 | H4 | 171.4° | 70.0° |
C23 | N18 | C17 | H5 | 52.0° | 50.0° |
C23 | N18 | C19 | H6 | 175.0° | 61.3° |
C23 | N18 | C19 | H7 | 65.3° | 178.6° |
N18 | C23 | C22 | H11 | 178.4° | 176.8° |
N18 | C23 | C22 | H12 | 62.3° | 63.1° |
N18 | C23 | H13 | H14 | 119.4° | 120.2° |
C17 | N18 | C19 | C20 | 179.4° | 177.7° |
N18 | C17 | C16 | H2 | 47.7° | 60.0° |
N18 | C17 | C16 | H3 | 70.7° | 60.0° |
N18 | C17 | H4 | H5 | 119.1° | 120.1° |
C17 | N18 | C19 | H6 | 60.4° | 62.5° |
C17 | N18 | C19 | H7 | 59.2° | 57.7° |
C17 | N18 | C23 | H13 | 59.3° | 57.7° |
C17 | N18 | C23 | H14 | 60.3° | 62.5° |
C22 | O21 | C20 | C19 | 58.2° | 58.7° |
C22 | O21 | C20 | H9 | 178.6° | 61.3° |
C22 | O21 | C20 | H10 | 62.2° | 178.6° |
O21 | C22 | H11 | H12 | 119.1° | 120.1° |
O21 | C22 | C23 | H13 | 178.2° | 176.8° |
O21 | C22 | C23 | H14 | 62.2° | 63.1° |
N18 | C19 | C20 | O21 | 57.4° | 56.9° |
N18 | C19 | C20 | H6 | 120.2° | 119.9° |
N18 | C19 | C20 | H7 | 120.2° | 120.0° |
C19 | N18 | C17 | H4 | 48.1° | 53.6° |
C19 | N18 | C17 | H5 | 71.2° | 173.6° |
N18 | C19 | H6 | H7 | 119.5° | 120.2° |
N18 | C19 | C20 | H9 | 177.8° | 63.1° |
N18 | C19 | C20 | H10 | 63.0° | 176.9° |
C19 | N18 | C23 | H13 | 175.6° | 178.6° |
C19 | N18 | C23 | H14 | 64.8° | 61.3° |
O21 | C20 | C19 | H9 | 120.4° | 120.0° |
O21 | C20 | C19 | H10 | 120.4° | 120.0° |
O21 | C20 | C19 | H6 | 177.6° | 63.1° |
O21 | C20 | C19 | H7 | 62.8° | 176.9° |
O21 | C20 | H9 | H10 | 118.7° | 120.2° |
C20 | O21 | C22 | H11 | 178.6° | 178.6° |
C20 | O21 | C22 | H12 | 62.1° | 61.3° |
C20 | C19 | H6 | H7 | 119.5° | 120.1° |
C19 | C20 | H9 | H10 | 118.8° | 120.0° |
H2 | C16 | C17 | H4 | 168.0° | 60.0° |
H2 | C16 | C17 | H5 | 72.6° | NaN° |
H2 | C16 | N15 | H18 | 6.6° | 120.0° |
H3 | C16 | C17 | H4 | 49.6° | 180.0° |
H3 | C16 | C17 | H5 | 169.0° | 60.0° |
H3 | C16 | N15 | H18 | 125.1° | 120.0° |
H6 | C19 | C20 | H9 | 62.0° | 176.9° |
H6 | C19 | C20 | H10 | 57.2° | 56.9° |
H7 | C19 | C20 | H9 | 57.7° | 56.9° |
H7 | C19 | C20 | H10 | 176.8° | 63.1° |
H11 | C22 | C23 | H13 | 61.4° | 63.2° |
H11 | C22 | C23 | H14 | 58.1° | 56.9° |
H12 | C22 | C23 | H13 | 57.9° | 56.9° |
H12 | C22 | C23 | H14 | 177.5° | 176.9° |
H15 | C5 | C6 | H16 | 0.5° | 0.2° |
H17 | C7 | N8 | H20 | 0.1° | 0.1° |