V9N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | sing | 1.46Å | 1.45Å | |
O | C1 | doub | 1.22Å | 1.23Å | |
N | C1 | sing | 1.35Å | 1.33Å | |
C1 | C2 | sing | 1.48Å | 1.50Å | |
C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
O1 | C7 | sing | 1.36Å | 1.38Å | |
O1 | C8 | sing | 1.44Å | 1.46Å | |
C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
C8 | C9 | sing | 1.55Å | 1.55Å | |
C4 | C17 | sing | 1.48Å | 1.50Å | |
C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C21 | C22 | sing | 1.55Å | 1.53Å | |
C21 | O3 | sing | 1.44Å | 1.44Å | |
N1 | C17 | sing | 1.35Å | 1.34Å | |
N1 | C18 | sing | 1.46Å | 1.46Å | |
C22 | C18 | sing | 1.53Å | 1.49Å | |
C22 | C19 | sing | 1.55Å | 1.50Å | |
C6 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
C6 | C9 | sing | 1.52Å | 1.52Å | |
C17 | O2 | doub | 1.22Å | 1.23Å | |
C18 | C19 | sing | 1.53Å | 1.49Å | |
C9 | C10 | sing | 1.53Å | 1.55Å | |
C9 | C11 | sing | 1.51Å | 1.54Å | |
O3 | C20 | sing | 1.44Å | 1.44Å | |
C19 | C20 | sing | 1.54Å | 1.53Å | |
C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C13 | H8 | sing | 1.08Å | 1.08Å | |
C15 | H9 | sing | 1.08Å | 1.08Å | |
C20 | H10 | sing | 1.09Å | 1.10Å | |
C20 | H11 | sing | 1.09Å | 1.10Å | |
C21 | H12 | sing | 1.09Å | 1.10Å | |
C21 | H13 | sing | 1.09Å | 1.10Å | |
C22 | H14 | sing | 1.09Å | 1.10Å | |
C18 | H15 | sing | 1.09Å | 1.10Å | |
C19 | H16 | sing | 1.09Å | 1.10Å | |
C3 | H17 | sing | 1.08Å | 1.08Å | |
C16 | H18 | sing | 1.08Å | 1.08Å | |
C14 | H19 | sing | 1.08Å | 1.08Å | |
C12 | H20 | sing | 1.08Å | 1.08Å | |
N | H21 | sing | 0.97Å | 1.00Å | |
C | H22 | sing | 1.09Å | 1.10Å | |
C | H23 | sing | 1.09Å | 1.10Å | |
C | H24 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | N | C1 | 121.8° | 120.1° |
C | N | H21 | 119.1° | 120.0° |
N | C | H22 | 109.5° | 109.4° |
N | C | H23 | 109.5° | 109.5° |
N | C | H24 | 109.5° | 109.5° |
O | C1 | N | 122.1° | 120.0° |
O | C1 | C2 | 121.2° | 120.0° |
N | C1 | C2 | 116.7° | 120.0° |
C1 | N | H21 | 119.1° | 120.0° |
C1 | C2 | C3 | 118.2° | 119.9° |
C1 | C2 | C7 | 124.0° | 120.0° |
C3 | C2 | C7 | 117.8° | 120.1° |
C2 | C3 | C4 | 120.7° | 120.0° |
C2 | C3 | H17 | 119.7° | 119.9° |
C2 | C7 | O1 | 125.0° | 129.7° |
C2 | C7 | C6 | 121.7° | 119.0° |
C3 | C4 | C17 | 122.0° | 120.1° |
C3 | C4 | C5 | 119.9° | 119.7° |
C4 | C3 | H17 | 119.6° | 120.0° |
C7 | O1 | C8 | 106.3° | 109.3° |
O1 | C7 | C6 | 113.2° | 111.3° |
O1 | C8 | C9 | 107.0° | 102.8° |
O1 | C8 | H3 | 110.1° | 110.8° |
O1 | C8 | H4 | 110.1° | 110.9° |
C7 | C6 | C5 | 120.1° | 121.1° |
C7 | C6 | C9 | 108.9° | 107.0° |
C8 | C9 | C6 | 100.0° | 101.9° |
C8 | C9 | C10 | 110.7° | 110.9° |
C8 | C9 | C11 | 112.1° | 110.9° |
C9 | C8 | H3 | 110.1° | 110.7° |
C9 | C8 | H4 | 110.1° | 110.7° |
C17 | C4 | C5 | 118.1° | 120.2° |
C4 | C17 | N1 | 116.9° | 120.0° |
C4 | C17 | O2 | 120.9° | 120.0° |
C4 | C5 | C6 | 119.8° | 120.2° |
C4 | C5 | H2 | 120.1° | 119.9° |
C22 | C21 | O3 | 105.5° | 104.7° |
C21 | C22 | C18 | 115.6° | 118.1° |
C21 | C22 | C19 | 106.0° | 104.0° |
C22 | C21 | H12 | 110.5° | 110.4° |
C22 | C21 | H13 | 110.4° | 110.4° |
C21 | C22 | H14 | 119.6° | 117.8° |
C21 | O3 | C20 | 108.5° | 105.3° |
O3 | C21 | H12 | 110.4° | 110.4° |
O3 | C21 | H13 | 110.4° | 110.4° |
C17 | N1 | C18 | 122.6° | 120.0° |
N1 | C17 | O2 | 122.2° | 120.0° |
C17 | N1 | H1 | 118.7° | 120.0° |
N1 | C18 | C22 | 117.5° | 117.5° |
N1 | C18 | C19 | 118.5° | 117.5° |
C18 | N1 | H1 | 118.7° | 120.0° |
N1 | C18 | H15 | 116.6° | 115.5° |
C18 | C22 | C19 | 59.7° | 59.7° |
C22 | C18 | C19 | 60.6° | 60.6° |
C18 | C22 | H14 | 120.4° | 119.8° |
C22 | C18 | H15 | 116.0° | 117.4° |
C22 | C19 | C18 | 59.7° | 59.7° |
C22 | C19 | C20 | 105.8° | 104.0° |
C19 | C22 | H14 | 120.1° | 123.3° |
C22 | C19 | H16 | 119.9° | 122.4° |
C5 | C6 | C9 | 130.8° | 132.0° |
C6 | C5 | H2 | 120.1° | 120.0° |
C6 | C9 | C10 | 110.8° | 111.0° |
C6 | C9 | C11 | 110.1° | 111.0° |
C18 | C19 | C20 | 116.3° | 118.1° |
C19 | C18 | H15 | 116.0° | 117.3° |
C18 | C19 | H16 | 120.2° | 119.8° |
C10 | C9 | C11 | 112.6° | 110.8° |
C9 | C10 | H5 | 109.5° | 109.5° |
C9 | C10 | H6 | 109.4° | 109.5° |
C9 | C10 | H7 | 109.4° | 109.4° |
C9 | C11 | C12 | 120.2° | 120.0° |
C9 | C11 | C16 | 121.6° | 120.0° |
O3 | C20 | C19 | 105.5° | 104.9° |
O3 | C20 | H10 | 110.4° | 110.4° |
O3 | C20 | H11 | 110.5° | 110.4° |
C19 | C20 | H10 | 110.4° | 110.4° |
C19 | C20 | H11 | 110.4° | 110.4° |
C20 | C19 | H16 | 119.5° | 118.2° |
C12 | C11 | C16 | 118.2° | 120.0° |
C11 | C12 | C13 | 120.8° | 120.0° |
C11 | C12 | H20 | 119.6° | 119.9° |
C11 | C16 | C15 | 120.8° | 120.0° |
C11 | C16 | H18 | 119.6° | 120.0° |
C12 | C13 | C14 | 120.3° | 120.0° |
C12 | C13 | H8 | 119.9° | 119.9° |
C13 | C12 | H20 | 119.6° | 120.1° |
C16 | C15 | C14 | 120.2° | 120.0° |
C16 | C15 | H9 | 119.9° | 120.0° |
C15 | C16 | H18 | 119.6° | 120.0° |
C13 | C14 | C15 | 119.8° | 120.0° |
C14 | C13 | H8 | 119.8° | 120.0° |
C13 | C14 | H19 | 120.1° | 120.0° |
C14 | C15 | H9 | 119.9° | 120.0° |
C15 | C14 | H19 | 120.1° | 120.0° |
H3 | C8 | H4 | 109.5° | 110.6° |
H5 | C10 | H6 | 109.5° | 109.5° |
H5 | C10 | H7 | 109.5° | 109.5° |
H6 | C10 | H7 | 109.5° | 109.5° |
H10 | C20 | H11 | 109.5° | 110.3° |
H12 | C21 | H13 | 109.5° | 110.4° |
H22 | C | H23 | 109.4° | 109.4° |
H22 | C | H24 | 109.5° | 109.4° |
H23 | C | H24 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | C1 | O | 2.8° | 0.0° |
C | N | C1 | H21 | 180.0° | 179.9° |
C | N | C1 | C2 | 175.5° | 179.9° |
N | C | H22 | H23 | 120.0° | 120.0° |
N | C | H22 | H24 | 120.0° | 120.0° |
N | C | H23 | H24 | 120.0° | 120.1° |
O | C1 | N | C2 | 178.3° | 179.9° |
O | C1 | C2 | C3 | 8.1° | 180.0° |
O | C1 | C2 | C7 | 170.5° | 0.6° |
O | C1 | N | H21 | 177.3° | 179.9° |
N | C1 | C2 | C3 | 173.6° | 0.0° |
N | C1 | C2 | C7 | 7.8° | 179.5° |
C1 | N | C | H22 | 180.0° | 60.0° |
C1 | N | C | H23 | 60.0° | 59.9° |
C1 | N | C | H24 | 60.0° | 179.9° |
C1 | C2 | C3 | C7 | 178.7° | 179.4° |
C1 | C2 | C3 | C4 | 178.5° | 179.8° |
C1 | C2 | C7 | O1 | 0.3° | 1.1° |
C1 | C2 | C7 | C6 | 178.7° | 179.2° |
C1 | C2 | C3 | H17 | 1.5° | 0.4° |
C2 | C1 | N | H21 | 4.5° | 0.0° |
C2 | C3 | C4 | H17 | 180.0° | 179.8° |
C3 | C2 | C7 | O1 | 178.3° | 179.5° |
C3 | C2 | C7 | C6 | 0.0° | 0.3° |
C2 | C3 | C4 | C17 | 179.9° | 179.6° |
C2 | C3 | C4 | C5 | 0.5° | 0.7° |
C7 | C2 | C3 | C4 | 0.2° | 0.3° |
C2 | C7 | O1 | C6 | 178.5° | 179.8° |
C2 | C7 | O1 | C8 | 170.2° | 161.2° |
C2 | C7 | C6 | C5 | 0.0° | 0.6° |
C2 | C7 | C6 | C9 | 175.9° | 179.2° |
C7 | C2 | C3 | H17 | 179.8° | 179.9° |
C3 | C4 | C17 | C5 | 179.4° | 179.8° |
C3 | C4 | C17 | N1 | 22.8° | 0.3° |
C3 | C4 | C5 | C6 | 0.5° | 0.4° |
C3 | C4 | C17 | O2 | 157.3° | 179.8° |
C3 | C4 | C5 | H2 | 179.5° | 179.6° |
C7 | O1 | C8 | C9 | 20.4° | 27.8° |
O1 | C7 | C6 | C5 | 178.5° | 179.3° |
O1 | C7 | C6 | C9 | 2.6° | 1.0° |
C7 | O1 | C8 | H3 | 99.2° | 90.5° |
C7 | O1 | C8 | H4 | 140.0° | 146.2° |
C8 | O1 | C7 | C6 | 11.4° | 19.0° |
O1 | C8 | C9 | H3 | 119.6° | 118.4° |
O1 | C8 | C9 | H4 | 119.6° | 118.6° |
O1 | C8 | C9 | C6 | 20.7° | 25.3° |
O1 | C8 | C9 | C10 | 137.6° | 92.8° |
O1 | C8 | C9 | C11 | 95.9° | 143.5° |
O1 | C8 | H3 | H4 | 121.1° | 123.4° |
C7 | C6 | C9 | C8 | 14.4° | 15.4° |
C7 | C6 | C5 | C4 | 0.3° | 0.3° |
C7 | C6 | C5 | C9 | 174.8° | 179.7° |
C7 | C6 | C9 | C10 | 131.1° | 102.7° |
C7 | C6 | C9 | C11 | 103.7° | 133.6° |
C7 | C6 | C5 | H2 | 179.8° | 179.7° |
C8 | C9 | C6 | C5 | 170.4° | 164.3° |
C8 | C9 | C6 | C10 | 116.8° | 118.1° |
C8 | C9 | C6 | C11 | 118.1° | 118.2° |
C8 | C9 | C10 | C11 | 126.2° | 123.7° |
C8 | C9 | C11 | C12 | 35.1° | 67.5° |
C8 | C9 | C11 | C16 | 146.7° | 113.0° |
C9 | C8 | H3 | H4 | 121.1° | 123.1° |
C8 | C9 | C10 | H5 | 180.0° | 52.5° |
C8 | C9 | C10 | H6 | 60.0° | 67.5° |
C8 | C9 | C10 | H7 | 60.0° | 172.5° |
C4 | C17 | N1 | O2 | 179.9° | 179.9° |
C4 | C17 | N1 | C18 | 179.2° | 180.0° |
C17 | C4 | C5 | C6 | 179.9° | 179.9° |
C4 | C17 | N1 | H1 | 0.8° | 0.4° |
C17 | C4 | C5 | H2 | 0.1° | 0.1° |
C17 | C4 | C3 | H17 | 0.2° | 0.2° |
C5 | C4 | C17 | N1 | 157.9° | 180.0° |
C4 | C5 | C6 | H2 | 180.0° | 180.0° |
C4 | C5 | C6 | C9 | 174.5° | 179.4° |
C5 | C4 | C17 | O2 | 22.1° | 0.0° |
C5 | C4 | C3 | H17 | 179.5° | 179.5° |
C22 | C21 | O3 | H12 | 119.4° | 118.8° |
C22 | C21 | O3 | H13 | 119.4° | 118.8° |
C21 | C22 | C18 | N1 | 156.8° | 161.9° |
C21 | C22 | C18 | C19 | 94.3° | 90.4° |
C21 | C22 | C18 | H14 | 156.4° | 156.2° |
C21 | C22 | C19 | H14 | 139.5° | 137.7° |
C22 | C21 | O3 | C20 | 28.8° | 40.4° |
C21 | C22 | C19 | C20 | 0.9° | 0.1° |
C22 | C21 | H12 | H13 | 121.8° | 122.3° |
C21 | C22 | C18 | H15 | 12.3° | 17.2° |
C21 | C22 | C19 | H16 | 139.7° | 137.3° |
O3 | C21 | C22 | C18 | 47.2° | 38.9° |
O3 | C21 | C22 | C19 | 16.4° | 23.9° |
C21 | O3 | C20 | C19 | 29.4° | 40.6° |
C21 | O3 | C20 | H10 | 90.0° | 78.3° |
C21 | O3 | C20 | H11 | 148.8° | 159.5° |
O3 | C21 | H12 | H13 | 121.8° | 122.4° |
O3 | C21 | C22 | H14 | 156.2° | 164.4° |
C17 | N1 | C18 | H1 | 180.0° | 179.6° |
C17 | N1 | C18 | C22 | 176.0° | 155.0° |
C17 | N1 | C18 | C19 | 106.3° | 135.6° |
C17 | N1 | C18 | H15 | 39.7° | 9.7° |
N1 | C18 | C22 | C19 | 108.9° | 107.7° |
N1 | C18 | C22 | H15 | 144.6° | 144.7° |
C18 | N1 | C17 | O2 | 0.8° | 0.1° |
N1 | C18 | C19 | H15 | 146.1° | 144.7° |
N1 | C18 | C19 | C20 | 159.1° | 162.0° |
N1 | C18 | C22 | H14 | 0.5° | 5.7° |
N1 | C18 | C19 | H16 | 1.9° | 4.7° |
C18 | C22 | C19 | H14 | 109.8° | 107.7° |
C22 | C18 | C19 | H15 | 106.6° | 107.7° |
C18 | C22 | C19 | C20 | 111.6° | 114.6° |
C22 | C18 | N1 | H1 | 4.0° | 25.3° |
C18 | C22 | C21 | H12 | 166.6° | 157.7° |
C18 | C22 | C21 | H13 | 72.1° | 79.9° |
C18 | C22 | C19 | H16 | 109.6° | 108.1° |
C22 | C19 | C20 | O3 | 17.9° | 24.0° |
C22 | C19 | C20 | H16 | 139.1° | 139.5° |
C22 | C19 | C20 | H10 | 101.4° | 94.9° |
C22 | C19 | C20 | H11 | 137.3° | 143.0° |
C19 | C22 | C21 | H12 | 103.0° | 94.9° |
C19 | C22 | C21 | H13 | 135.8° | 142.8° |
C5 | C6 | C9 | C10 | 53.6° | 77.6° |
C5 | C6 | C9 | C11 | 71.5° | 46.1° |
C6 | C9 | C10 | C11 | 123.8° | 123.8° |
C6 | C9 | C11 | C12 | 75.3° | 180.0° |
C6 | C9 | C11 | C16 | 103.0° | 0.5° |
C9 | C6 | C5 | H2 | 5.5° | 0.6° |
C6 | C9 | C8 | H3 | 98.9° | 93.0° |
C6 | C9 | C8 | H4 | 140.4° | 143.9° |
C6 | C9 | C10 | H5 | 70.0° | 60.0° |
C6 | C9 | C10 | H6 | 50.0° | 180.0° |
C6 | C9 | C10 | H7 | 169.9° | 60.0° |
O2 | C17 | N1 | H1 | 179.2° | 179.7° |
C18 | C19 | C20 | O3 | 45.6° | 38.8° |
C18 | C19 | C20 | H16 | 157.4° | 157.7° |
C19 | C18 | N1 | H1 | 73.7° | 44.0° |
C18 | C19 | C20 | H10 | 165.0° | 157.7° |
C18 | C19 | C20 | H11 | 73.8° | 80.1° |
C10 | C9 | C11 | C12 | 160.6° | 56.2° |
C10 | C9 | C11 | C16 | 21.2° | 123.2° |
C10 | C9 | C8 | H3 | 18.0° | 148.8° |
C10 | C9 | C8 | H4 | 102.8° | 25.7° |
C9 | C10 | H5 | H6 | 120.0° | 120.0° |
C9 | C10 | H5 | H7 | 120.0° | 120.0° |
C9 | C10 | H6 | H7 | 120.0° | 120.0° |
C9 | C11 | C12 | C16 | 178.3° | 179.4° |
C9 | C11 | C12 | C13 | 178.2° | 180.0° |
C9 | C11 | C16 | C15 | 178.9° | 179.7° |
C11 | C9 | C8 | H3 | 144.5° | 25.1° |
C11 | C9 | C8 | H4 | 23.8° | 97.9° |
C11 | C9 | C10 | H5 | 53.7° | 176.2° |
C11 | C9 | C10 | H6 | 173.7° | 56.2° |
C11 | C9 | C10 | H7 | 66.3° | 63.8° |
C9 | C11 | C16 | H18 | 1.1° | 0.0° |
C9 | C11 | C12 | H20 | 1.9° | 0.0° |
O3 | C20 | C19 | H10 | 119.4° | 118.9° |
O3 | C20 | C19 | H11 | 119.4° | 118.9° |
O3 | C20 | H10 | H11 | 121.8° | 122.2° |
C20 | O3 | C21 | H12 | 90.6° | 78.3° |
C20 | O3 | C21 | H13 | 148.2° | 159.3° |
O3 | C20 | C19 | H16 | 157.0° | 163.5° |
C19 | C20 | H10 | H11 | 121.8° | 122.2° |
C20 | C19 | C22 | H14 | 138.6° | 137.7° |
C20 | C19 | C18 | H15 | 13.0° | 17.3° |
C11 | C12 | C13 | H20 | 180.0° | 179.9° |
C12 | C11 | C16 | C15 | 0.6° | 0.8° |
C11 | C12 | C13 | C14 | 0.6° | 0.0° |
C11 | C12 | C13 | H8 | 179.4° | 179.7° |
C12 | C11 | C16 | H18 | 179.4° | 179.4° |
C16 | C11 | C12 | C13 | 0.2° | 0.6° |
C11 | C16 | C15 | H18 | 180.0° | 179.8° |
C11 | C16 | C15 | C14 | 0.9° | 0.5° |
C11 | C16 | C15 | H9 | 179.1° | 179.4° |
C16 | C11 | C12 | H20 | 179.8° | 179.5° |
C12 | C13 | C14 | H8 | 180.0° | 179.7° |
C12 | C13 | C14 | C15 | 0.3° | 0.3° |
C12 | C13 | C14 | H19 | 179.7° | 179.7° |
C16 | C15 | C14 | C13 | 0.5° | 0.1° |
C16 | C15 | C14 | H9 | 180.0° | 179.9° |
C16 | C15 | C14 | H19 | 179.6° | 180.0° |
C13 | C14 | C15 | H19 | 180.0° | 179.9° |
C13 | C14 | C15 | H9 | 179.5° | 180.0° |
C14 | C13 | C12 | H20 | 179.4° | 180.0° |
C15 | C14 | C13 | H8 | 179.7° | 180.0° |
C14 | C15 | C16 | H18 | 179.1° | 179.8° |
H1 | N1 | C18 | H15 | 140.3° | 170.7° |
H5 | C10 | H6 | H7 | 120.0° | 120.0° |
H8 | C13 | C14 | H19 | 0.3° | 0.0° |
H8 | C13 | C12 | H20 | 0.6° | 0.3° |
H9 | C15 | C16 | H18 | 0.9° | 0.3° |
H9 | C15 | C14 | H19 | 0.5° | 0.1° |
H10 | C20 | C19 | H16 | 37.6° | 44.6° |
H11 | C20 | C19 | H16 | 83.6° | 77.6° |
H12 | C21 | C22 | H14 | 36.8° | 45.7° |
H13 | C21 | C22 | H14 | 84.5° | 76.7° |
H14 | C22 | C18 | H15 | 144.1° | 139.0° |
H14 | C22 | C19 | H16 | 0.2° | 0.4° |
H15 | C18 | C19 | H16 | 144.3° | 140.0° |
H21 | N | C | H22 | 0.0° | 120.1° |
H21 | N | C | H23 | 120.0° | 120.0° |
H21 | N | C | H24 | 120.0° | 0.1° |
H22 | C | H23 | H24 | 120.0° | 119.9° |