H24
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O2 | sing | 1.44Å | 1.44Å | |
O2 | C3 | sing | 1.37Å | 1.37Å | |
C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | C9 | sing | 1.49Å | 1.49Å | Aromatic |
C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C9 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.54Å | 1.54Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C14 | C18 | sing | 1.53Å | 1.53Å | |
C14 | N25 | sing | 1.49Å | 1.49Å | |
C18 | C19 | sing | 1.50Å | 1.50Å | |
C19 | O20 | doub | 1.22Å | 1.22Å | |
C19 | N21 | sing | 1.35Å | 1.35Å | |
N21 | C22 | sing | 1.47Å | 1.47Å | |
N21 | C23 | sing | 1.43Å | 1.43Å | |
C23 | N25 | doub | 1.31Å | 1.31Å | |
C23 | N24 | sing | 1.34Å | 1.34Å | |
C1 | H1C1 | sing | 1.10Å | 1.10Å | |
C1 | H1C2 | sing | 1.10Å | 1.10Å | |
C1 | H1C3 | sing | 1.10Å | 1.10Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.10Å | 1.10Å | |
C15 | H152 | sing | 1.10Å | 1.10Å | |
C15 | H153 | sing | 1.10Å | 1.10Å | |
C18 | H181 | sing | 1.10Å | 1.10Å | |
C18 | H182 | sing | 1.10Å | 1.10Å | |
C22 | H221 | sing | 1.10Å | 1.10Å | |
C22 | H222 | sing | 1.10Å | 1.10Å | |
C22 | H223 | sing | 1.10Å | 1.10Å | |
N24 | H241 | sing | 1.00Å | 1.00Å | |
N24 | H242 | sing | 1.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | O2 | C3 | 117.8° | 117.8° |
O2 | C1 | H1C1 | 109.5° | 109.5° |
O2 | C1 | H1C2 | 109.5° | 109.5° |
O2 | C1 | H1C3 | 109.5° | 109.5° |
O2 | C3 | C4 | 123.8° | 123.8° |
O2 | C3 | C8 | 116.6° | 116.6° |
C4 | C3 | C8 | 119.5° | 119.5° |
C3 | C4 | C5 | 120.4° | 120.4° |
C3 | C4 | H4 | 119.8° | 119.8° |
C3 | C8 | C7 | 120.6° | 120.6° |
C3 | C8 | H8 | 119.7° | 119.7° |
C4 | C5 | C6 | 120.1° | 120.1° |
C5 | C4 | H4 | 119.8° | 119.8° |
C4 | C5 | H5 | 120.0° | 120.0° |
C5 | C6 | C7 | 120.8° | 120.8° |
C6 | C5 | H5 | 120.0° | 120.0° |
C5 | C6 | H6 | 119.6° | 119.6° |
C6 | C7 | C8 | 118.7° | 118.7° |
C6 | C7 | C9 | 120.0° | 120.0° |
C7 | C6 | H6 | 119.6° | 119.6° |
C8 | C7 | C9 | 121.2° | 121.2° |
C7 | C8 | H8 | 119.7° | 119.7° |
C7 | C9 | C10 | 119.8° | 119.8° |
C7 | C9 | C26 | 121.2° | 121.2° |
C10 | C9 | C26 | 118.9° | 118.9° |
C9 | C10 | C11 | 120.5° | 120.5° |
C9 | C10 | H10 | 119.7° | 119.8° |
C9 | C26 | C13 | 120.8° | 120.8° |
C9 | C26 | H26 | 119.6° | 119.6° |
C10 | C11 | C12 | 120.3° | 120.3° |
C11 | C10 | H10 | 119.8° | 119.7° |
C10 | C11 | H11 | 119.9° | 119.9° |
C11 | C12 | C13 | 120.7° | 120.7° |
C12 | C11 | H11 | 119.9° | 119.9° |
C11 | C12 | H12 | 119.6° | 119.6° |
C12 | C13 | C26 | 118.8° | 118.8° |
C12 | C13 | C14 | 117.9° | 117.9° |
C13 | C12 | H12 | 119.7° | 119.7° |
C26 | C13 | C14 | 123.3° | 123.3° |
C13 | C26 | H26 | 119.6° | 119.6° |
C13 | C14 | C15 | 110.1° | 110.1° |
C13 | C14 | C18 | 109.6° | 109.6° |
C13 | C14 | N25 | 111.5° | 111.5° |
C15 | C14 | C18 | 107.8° | 107.8° |
C15 | C14 | N25 | 106.7° | 106.7° |
C14 | C15 | H151 | 109.5° | 109.5° |
C14 | C15 | H152 | 109.5° | 109.5° |
C14 | C15 | H153 | 109.5° | 109.5° |
C18 | C14 | N25 | 111.1° | 111.1° |
C14 | C18 | C19 | 113.0° | 113.0° |
C14 | C18 | H181 | 108.4° | 108.4° |
C14 | C18 | H182 | 107.5° | 107.5° |
C14 | N25 | C23 | 120.4° | 120.4° |
C18 | C19 | O20 | 121.8° | 121.8° |
C18 | C19 | N21 | 115.7° | 115.7° |
C19 | C18 | H181 | 108.3° | 108.3° |
C19 | C18 | H182 | 107.6° | 107.6° |
O20 | C19 | N21 | 122.5° | 122.5° |
C19 | N21 | C22 | 117.9° | 117.9° |
C19 | N21 | C23 | 119.9° | 119.9° |
C22 | N21 | C23 | 121.9° | 121.9° |
N21 | C22 | H221 | 109.5° | 109.5° |
N21 | C22 | H222 | 109.4° | 109.4° |
N21 | C22 | H223 | 109.5° | 109.5° |
N21 | C23 | N25 | 122.7° | 122.7° |
N21 | C23 | N24 | 119.9° | 119.9° |
N25 | C23 | N24 | 117.4° | 117.4° |
C23 | N24 | H241 | 110.1° | 110.1° |
C23 | N24 | H242 | 125.0° | 125.0° |
H1C1 | C1 | H1C2 | 109.5° | 109.5° |
H1C1 | C1 | H1C3 | 109.5° | 109.5° |
H1C2 | C1 | H1C3 | 109.5° | 109.5° |
H151 | C15 | H152 | 109.4° | 109.4° |
H151 | C15 | H153 | 109.4° | 109.4° |
H152 | C15 | H153 | 109.5° | 109.5° |
H181 | C18 | H182 | 112.2° | 112.2° |
H221 | C22 | H222 | 109.4° | 109.5° |
H221 | C22 | H223 | 109.5° | 109.5° |
H222 | C22 | H223 | 109.5° | 109.5° |
H241 | N24 | H242 | 125.0° | 125.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | O2 | C3 | C4 | 10.2° | 10.2° |
C1 | O2 | C3 | C8 | 167.2° | 167.2° |
O2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
O2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
O2 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
O2 | C3 | C4 | C8 | 177.3° | 177.3° |
O2 | C3 | C4 | C5 | 179.1° | 179.1° |
O2 | C3 | C8 | C7 | 179.6° | 179.6° |
C3 | O2 | C1 | H1C1 | 138.3° | 138.3° |
C3 | O2 | C1 | H1C2 | 18.3° | 18.3° |
C3 | O2 | C1 | H1C3 | 101.7° | 101.7° |
O2 | C3 | C4 | H4 | 0.9° | 0.9° |
O2 | C3 | C8 | H8 | 0.3° | 0.3° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 1.2° | 1.2° |
C4 | C3 | C8 | C7 | 2.1° | 2.1° |
C4 | C3 | C8 | H8 | 177.8° | 177.8° |
C3 | C4 | C5 | H5 | 178.8° | 178.8° |
C8 | C3 | C4 | C5 | 1.8° | 1.8° |
C3 | C8 | C7 | C6 | 1.9° | 1.9° |
C3 | C8 | C7 | H8 | 180.0° | 180.0° |
C3 | C8 | C7 | C9 | 178.4° | 178.4° |
C8 | C3 | C4 | H4 | 178.2° | 178.2° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 1.0° | 1.0° |
C4 | C5 | C6 | H6 | 179.0° | 179.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 1.3° | 1.3° |
C5 | C6 | C7 | C9 | 177.9° | 177.9° |
C6 | C5 | C4 | H4 | 178.8° | 178.8° |
C6 | C7 | C8 | C9 | 176.6° | 176.6° |
C6 | C7 | C9 | C10 | 36.0° | 36.0° |
C6 | C7 | C9 | C26 | 139.4° | 139.4° |
C6 | C7 | C8 | H8 | 178.1° | 178.1° |
C7 | C6 | C5 | H5 | 179.0° | 179.0° |
C8 | C7 | C9 | C10 | 147.5° | 147.5° |
C8 | C7 | C9 | C26 | 37.2° | 37.2° |
C8 | C7 | C6 | H6 | 178.7° | 178.7° |
C7 | C9 | C10 | C26 | 175.4° | 175.4° |
C7 | C9 | C10 | C11 | 177.5° | 177.5° |
C7 | C9 | C26 | C13 | 177.3° | 177.3° |
C9 | C7 | C8 | H8 | 1.5° | 1.5° |
C9 | C7 | C6 | H6 | 2.1° | 2.1° |
C7 | C9 | C10 | H10 | 2.4° | 2.5° |
C7 | C9 | C26 | H26 | 2.7° | 2.7° |
C9 | C10 | C11 | H10 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 1.7° | 1.7° |
C10 | C9 | C26 | C13 | 1.9° | 1.9° |
C10 | C9 | C26 | H26 | 178.1° | 178.1° |
C9 | C10 | C11 | H11 | 178.3° | 178.3° |
C26 | C9 | C10 | C11 | 2.1° | 2.1° |
C9 | C26 | C13 | C12 | 1.3° | 1.3° |
C9 | C26 | C13 | H26 | 180.0° | 180.0° |
C9 | C26 | C13 | C14 | 180.0° | 180.0° |
C26 | C9 | C10 | H10 | 177.9° | 177.9° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 1.1° | 1.1° |
C10 | C11 | C12 | H12 | 178.9° | 178.9° |
C11 | C12 | C13 | H12 | 180.0° | 180.0° |
C11 | C12 | C13 | C26 | 0.9° | 0.9° |
C11 | C12 | C13 | C14 | 179.6° | 179.6° |
C12 | C11 | C10 | H10 | 178.3° | 178.3° |
C12 | C13 | C26 | C14 | 178.6° | 178.6° |
C12 | C13 | C14 | C15 | 48.1° | 48.1° |
C12 | C13 | C14 | C18 | 70.4° | 70.4° |
C12 | C13 | C14 | N25 | 166.2° | 166.2° |
C12 | C13 | C26 | H26 | 178.7° | 178.7° |
C13 | C12 | C11 | H11 | 178.9° | 178.9° |
C26 | C13 | C14 | C15 | 133.3° | 133.3° |
C26 | C13 | C14 | C18 | 108.3° | 108.3° |
C26 | C13 | C14 | N25 | 15.1° | 15.1° |
C26 | C13 | C12 | H12 | 179.1° | 179.1° |
C13 | C14 | C15 | C18 | 119.5° | 119.5° |
C13 | C14 | C15 | N25 | 121.1° | 121.1° |
C13 | C14 | C18 | N25 | 123.6° | 123.6° |
C13 | C14 | C18 | C19 | 81.5° | 81.5° |
C13 | C14 | N25 | C23 | 108.1° | 108.1° |
C14 | C13 | C26 | H26 | 0.0° | 0.0° |
C14 | C13 | C12 | H12 | 0.4° | 0.4° |
C13 | C14 | C15 | H151 | 99.7° | 99.7° |
C13 | C14 | C15 | H152 | 20.3° | 20.3° |
C13 | C14 | C15 | H153 | 140.3° | 140.3° |
C13 | C14 | C18 | H181 | 38.5° | 38.5° |
C13 | C14 | C18 | H182 | 160.0° | 160.0° |
C15 | C14 | C18 | N25 | 116.5° | 116.5° |
C15 | C14 | C18 | C19 | 158.7° | 158.7° |
C15 | C14 | N25 | C23 | 131.7° | 131.7° |
C14 | C15 | H151 | H152 | 120.0° | 120.0° |
C14 | C15 | H151 | H153 | 120.0° | 120.0° |
C14 | C15 | H152 | H153 | 120.0° | 120.0° |
C15 | C14 | C18 | H181 | 81.3° | 81.3° |
C15 | C14 | C18 | H182 | 40.2° | 40.2° |
C14 | C18 | C19 | H181 | 120.0° | 120.0° |
C14 | C18 | C19 | H182 | 118.5° | 118.5° |
C14 | C18 | C19 | O20 | 133.9° | 133.9° |
C14 | C18 | C19 | N21 | 43.2° | 43.2° |
C18 | C14 | N25 | C23 | 14.4° | 14.4° |
C18 | C14 | C15 | H151 | 19.8° | 19.8° |
C18 | C14 | C15 | H152 | 139.8° | 139.8° |
C18 | C14 | C15 | H153 | 100.1° | 100.1° |
C14 | C18 | H181 | H182 | 118.6° | 118.6° |
N25 | C14 | C18 | C19 | 42.1° | 42.1° |
C14 | N25 | C23 | N21 | 15.3° | 15.3° |
C14 | N25 | C23 | N24 | 165.8° | 165.8° |
N25 | C14 | C15 | H151 | 139.2° | 139.2° |
N25 | C14 | C15 | H152 | 100.8° | 100.8° |
N25 | C14 | C15 | H153 | 19.3° | 19.3° |
N25 | C14 | C18 | H181 | 162.1° | 162.1° |
N25 | C14 | C18 | H182 | 76.4° | 76.4° |
C18 | C19 | O20 | N21 | 176.8° | 176.8° |
C18 | C19 | N21 | C22 | 171.9° | 171.9° |
C18 | C19 | N21 | C23 | 14.6° | 14.6° |
C19 | C18 | H181 | H182 | 118.6° | 118.6° |
O20 | C19 | N21 | C22 | 11.1° | 11.1° |
O20 | C19 | N21 | C23 | 162.5° | 162.5° |
O20 | C19 | C18 | H181 | 13.9° | 13.9° |
O20 | C19 | C18 | H182 | 107.6° | 107.6° |
C19 | N21 | C22 | C23 | 173.4° | 173.4° |
C19 | N21 | C23 | N25 | 16.2° | 16.2° |
C19 | N21 | C23 | N24 | 165.0° | 165.0° |
N21 | C19 | C18 | H181 | 163.2° | 163.2° |
N21 | C19 | C18 | H182 | 75.3° | 75.3° |
C19 | N21 | C22 | H221 | 152.3° | 152.3° |
C19 | N21 | C22 | H222 | 32.3° | 32.3° |
C19 | N21 | C22 | H223 | 87.6° | 87.6° |
C22 | N21 | C23 | N25 | 157.0° | 157.0° |
C22 | N21 | C23 | N24 | 21.7° | 21.7° |
N21 | C22 | H221 | H222 | 120.0° | 120.0° |
N21 | C22 | H221 | H223 | 120.0° | 120.0° |
N21 | C22 | H222 | H223 | 120.0° | 120.0° |
N21 | C23 | N25 | N24 | 178.8° | 178.8° |
C23 | N21 | C22 | H221 | 21.1° | 21.1° |
C23 | N21 | C22 | H222 | 141.1° | 141.1° |
C23 | N21 | C22 | H223 | 98.9° | 98.9° |
N21 | C23 | N24 | H241 | 0.6° | 0.6° |
N21 | C23 | N24 | H242 | 179.4° | 179.4° |
N25 | C23 | N24 | H241 | 179.4° | 179.4° |
N25 | C23 | N24 | H242 | 0.5° | 0.5° |
C23 | N24 | H241 | H242 | 180.0° | 180.0° |
H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
H4 | C4 | C5 | H5 | 1.2° | 1.2° |
H5 | C5 | C6 | H6 | 1.0° | 1.0° |
H10 | C10 | C11 | H11 | 1.7° | 1.7° |
H11 | C11 | C12 | H12 | 1.1° | 1.1° |
H151 | C15 | H152 | H153 | 119.9° | 119.9° |
H221 | C22 | H222 | H223 | 120.0° | 120.0° |