ON6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C7 | doub | 0.00Å | 1.25Å | |
C7 | N1 | sing | 0.00Å | 1.33Å | |
C7 | C8 | sing | 0.00Å | 1.49Å | |
N1 | C2 | sing | 0.00Å | 1.34Å | |
C9 | C8 | doub | 0.00Å | 1.49Å | |
C9 | C10 | sing | 0.00Å | 1.48Å | |
C11 | C12 | doub | 0.00Å | 1.39Å | Aromatic |
C11 | C10 | sing | 0.00Å | 1.39Å | Aromatic |
C8 | S2 | sing | 0.00Å | 1.68Å | |
O6 | S1 | doub | 0.00Å | 1.44Å | |
C12 | C13 | sing | 0.00Å | 1.38Å | Aromatic |
C10 | C15 | doub | 0.00Å | 1.39Å | Aromatic |
C3 | C2 | sing | 0.00Å | 1.41Å | Aromatic |
C3 | C4 | doub | 0.00Å | 1.40Å | Aromatic |
C2 | C1 | doub | 0.00Å | 1.40Å | Aromatic |
S1 | C4 | sing | 0.00Å | 1.63Å | |
S1 | O5 | doub | 0.00Å | 1.44Å | |
S1 | C16 | sing | 0.00Å | 1.66Å | |
C4 | C5 | sing | 0.00Å | 1.40Å | Aromatic |
C13 | O2 | sing | 0.00Å | 1.35Å | |
C13 | C14 | doub | 0.00Å | 1.39Å | Aromatic |
C1 | S2 | sing | 0.00Å | 1.72Å | |
C1 | C6 | sing | 0.00Å | 1.39Å | Aromatic |
C15 | C14 | sing | 0.00Å | 1.39Å | Aromatic |
C14 | N2 | sing | 0.00Å | 1.40Å | |
C16 | C20 | sing | 0.00Å | 1.33Å | |
C5 | C6 | doub | 0.00Å | 1.41Å | Aromatic |
CL2 | C21 | sing | 0.00Å | 1.80Å | |
C20 | C21 | doub | 0.00Å | 1.52Å | Aromatic |
C20 | C19 | sing | 0.00Å | 1.38Å | Aromatic |
N2 | O4 | doub | 0.00Å | 1.22Å | |
N2 | O3 | sing | 0.00Å | 1.21Å | |
CL1 | C19 | sing | 0.00Å | 1.80Å | |
C21 | C22 | sing | 0.00Å | 1.39Å | Aromatic |
C19 | C18 | doub | 0.00Å | 1.42Å | Aromatic |
C22 | C17 | doub | 0.00Å | 1.40Å | Aromatic |
C18 | C17 | sing | 0.00Å | 1.39Å | Aromatic |
C15 | H5 | sing | 0.00Å | 1.08Å | |
O2 | H13 | sing | 0.00Å | 0.95Å | |
C12 | H4 | sing | 0.00Å | 1.08Å | |
C11 | H3 | sing | 0.00Å | 1.08Å | |
C9 | H12 | sing | 0.00Å | 1.08Å | |
N1 | H6 | sing | 0.00Å | 1.00Å | |
C3 | H1 | sing | 0.00Å | 1.08Å | |
C6 | H2 | sing | 0.00Å | 1.08Å | |
C5 | H14 | sing | 0.00Å | 1.08Å | |
C16 | H10 | sing | 0.00Å | 1.10Å | |
C16 | H11 | sing | 0.00Å | 1.10Å | |
C22 | H9 | sing | 0.00Å | 1.08Å | |
C17 | H7 | sing | 0.00Å | 1.08Å | |
C18 | H8 | sing | 0.00Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C7 | N1 | 115.2° | 90.0° |
O1 | C7 | C8 | 119.4° | 90.0° |
N1 | C7 | C8 | 122.0° | 90.0° |
C7 | N1 | C2 | 123.8° | 90.0° |
C7 | N1 | H6 | 118.1° | 90.0° |
C7 | C8 | C9 | 116.8° | 90.0° |
C7 | C8 | S2 | 118.4° | 90.0° |
N1 | C2 | C3 | 113.9° | 90.0° |
N1 | C2 | C1 | 121.4° | 90.0° |
C2 | N1 | H6 | 118.1° | 90.0° |
C8 | C9 | C10 | 128.3° | 90.0° |
C9 | C8 | S2 | 124.3° | 90.0° |
C8 | C9 | H12 | 115.8° | 90.0° |
C9 | C10 | C11 | 115.9° | 90.0° |
C9 | C10 | C15 | 126.2° | 90.0° |
C10 | C9 | H12 | 115.9° | 90.0° |
C12 | C11 | C10 | 121.4° | 90.0° |
C11 | C12 | C13 | 119.9° | 90.0° |
C11 | C12 | H4 | 120.1° | 90.0° |
C12 | C11 | H3 | 119.3° | 90.0° |
C11 | C10 | C15 | 117.9° | 90.0° |
C10 | C11 | H3 | 119.3° | 90.0° |
C8 | S2 | C1 | 105.9° | 90.0° |
O6 | S1 | C4 | 111.3° | 90.0° |
O6 | S1 | O5 | 109.3° | 90.0° |
O6 | S1 | C16 | 110.2° | 90.0° |
C12 | C13 | O2 | 119.5° | 90.0° |
C12 | C13 | C14 | 119.7° | 90.0° |
C13 | C12 | H4 | 120.0° | 90.0° |
C10 | C15 | C14 | 121.0° | 90.0° |
C10 | C15 | H5 | 119.5° | 90.0° |
C2 | C3 | C4 | 121.7° | 90.0° |
C3 | C2 | C1 | 120.7° | 90.0° |
C2 | C3 | H1 | 119.1° | 90.0° |
C3 | C4 | S1 | 121.9° | 90.0° |
C3 | C4 | C5 | 117.1° | 90.0° |
C4 | C3 | H1 | 119.1° | 90.0° |
C2 | C1 | S2 | 121.3° | 90.0° |
C2 | C1 | C6 | 118.0° | 90.0° |
C4 | S1 | O5 | 106.4° | 90.0° |
C4 | S1 | C16 | 108.9° | 90.0° |
S1 | C4 | C5 | 121.1° | 90.0° |
O5 | S1 | C16 | 110.7° | 90.0° |
S1 | C16 | C20 | 115.6° | 90.0° |
S1 | C16 | H10 | 107.9° | 90.0° |
S1 | C16 | H11 | 107.9° | 90.0° |
C4 | C5 | C6 | 121.5° | 90.0° |
C4 | C5 | H14 | 119.2° | 90.0° |
O2 | C13 | C14 | 120.8° | 90.0° |
C13 | O2 | H13 | 109.5° | 90.0° |
C13 | C14 | C15 | 120.1° | 90.0° |
C13 | C14 | N2 | 121.7° | 90.0° |
S2 | C1 | C6 | 120.3° | 90.0° |
C1 | C6 | C5 | 121.0° | 90.0° |
C1 | C6 | H2 | 119.5° | 90.0° |
C15 | C14 | N2 | 118.3° | 90.0° |
C14 | C15 | H5 | 119.5° | 90.0° |
C14 | N2 | O4 | 120.1° | 90.0° |
C14 | N2 | O3 | 122.3° | 90.0° |
C16 | C20 | C21 | 132.4° | 90.0° |
C16 | C20 | C19 | 110.0° | 90.0° |
C20 | C16 | H10 | 107.9° | 90.0° |
C20 | C16 | H11 | 107.9° | 90.0° |
C5 | C6 | H2 | 119.5° | 90.0° |
C6 | C5 | H14 | 119.3° | 90.0° |
CL2 | C21 | C20 | 121.7° | 90.0° |
CL2 | C21 | C22 | 118.7° | 90.0° |
C21 | C20 | C19 | 117.5° | 90.0° |
C20 | C21 | C22 | 119.6° | 90.0° |
C20 | C19 | CL1 | 118.9° | 90.0° |
C20 | C19 | C18 | 119.8° | 90.0° |
O4 | N2 | O3 | 117.6° | 90.0° |
CL1 | C19 | C18 | 121.0° | 90.0° |
C21 | C22 | C17 | 120.8° | 90.0° |
C21 | C22 | H9 | 119.6° | 90.0° |
C19 | C18 | C17 | 122.4° | 90.0° |
C19 | C18 | H8 | 118.8° | 90.0° |
C22 | C17 | C18 | 119.7° | 90.0° |
C17 | C22 | H9 | 119.6° | 90.0° |
C22 | C17 | H7 | 120.2° | 90.0° |
C18 | C17 | H7 | 120.2° | 90.0° |
C17 | C18 | H8 | 118.8° | 90.0° |
H10 | C16 | H11 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C7 | N1 | C8 | 158.9° | 90.0° |
O1 | C7 | N1 | C2 | 169.2° | 90.0° |
O1 | C7 | C8 | C9 | 15.2° | 90.0° |
O1 | C7 | C8 | S2 | 172.6° | 90.0° |
O1 | C7 | N1 | H6 | 10.8° | 90.0° |
C7 | N1 | C2 | H6 | 180.0° | 90.0° |
N1 | C7 | C8 | C9 | 173.2° | 90.0° |
N1 | C7 | C8 | S2 | 14.6° | 90.0° |
C7 | N1 | C2 | C3 | 169.6° | 90.0° |
C7 | N1 | C2 | C1 | 32.7° | 90.0° |
C8 | C7 | N1 | C2 | 31.9° | 90.0° |
C7 | C8 | C9 | S2 | 171.7° | 90.0° |
C7 | C8 | C9 | C10 | 169.9° | 90.0° |
C7 | C8 | S2 | C1 | 0.8° | 90.0° |
C7 | C8 | C9 | H12 | 10.1° | 90.0° |
C8 | C7 | N1 | H6 | 148.1° | 90.0° |
N1 | C2 | C3 | C1 | 157.9° | 90.0° |
N1 | C2 | C3 | C4 | 157.0° | 90.0° |
N1 | C2 | C1 | S2 | 16.3° | 90.0° |
N1 | C2 | C1 | C6 | 156.1° | 90.0° |
N1 | C2 | C3 | H1 | 23.0° | 90.0° |
C8 | C9 | C10 | H12 | 180.0° | 90.0° |
C8 | C9 | C10 | C11 | 168.5° | 90.0° |
C8 | C9 | C10 | C15 | 12.8° | 90.0° |
C9 | C8 | S2 | C1 | 172.4° | 90.0° |
C9 | C10 | C11 | C12 | 178.6° | 90.0° |
C9 | C10 | C11 | C15 | 178.8° | 90.0° |
C10 | C9 | C8 | S2 | 18.5° | 90.0° |
C9 | C10 | C15 | C14 | 179.9° | 90.0° |
C9 | C10 | C15 | H5 | 0.1° | 90.0° |
C9 | C10 | C11 | H3 | 1.4° | 90.0° |
C12 | C11 | C10 | H3 | 180.0° | 90.0° |
C11 | C12 | C13 | H4 | 180.0° | 90.0° |
C12 | C11 | C10 | C15 | 2.6° | 90.0° |
C11 | C12 | C13 | O2 | 180.0° | 90.0° |
C11 | C12 | C13 | C14 | 0.8° | 90.0° |
C10 | C11 | C12 | C13 | 2.3° | 90.0° |
C11 | C10 | C15 | C14 | 1.4° | 90.0° |
C11 | C10 | C15 | H5 | 178.5° | 90.0° |
C10 | C11 | C12 | H4 | 177.7° | 90.0° |
C11 | C10 | C9 | H12 | 11.5° | 90.0° |
C8 | S2 | C1 | C2 | 1.7° | 90.0° |
C8 | S2 | C1 | C6 | 170.6° | 90.0° |
S2 | C8 | C9 | H12 | 161.6° | 90.0° |
O6 | S1 | C4 | C3 | 8.1° | 90.0° |
O6 | S1 | C4 | O5 | 119.0° | 90.0° |
O6 | S1 | C4 | C16 | 121.6° | 90.0° |
O6 | S1 | O5 | C16 | 121.6° | 90.0° |
O6 | S1 | C4 | C5 | 172.4° | 90.0° |
O6 | S1 | C16 | C20 | 132.7° | 90.0° |
O6 | S1 | C16 | H10 | 11.8° | 90.0° |
O6 | S1 | C16 | H11 | 106.4° | 90.0° |
C12 | C13 | O2 | C14 | 179.2° | 90.0° |
C12 | C13 | C14 | C15 | 0.3° | 90.0° |
C12 | C13 | C14 | N2 | 179.2° | 90.0° |
C12 | C13 | O2 | H13 | 180.0° | 90.0° |
C13 | C12 | C11 | H3 | 177.7° | 90.0° |
C10 | C15 | C14 | C13 | 0.0° | 90.0° |
C10 | C15 | C14 | H5 | 180.0° | 90.0° |
C10 | C15 | C14 | N2 | 179.6° | 90.0° |
C15 | C10 | C11 | H3 | 177.4° | 90.0° |
C15 | C10 | C9 | H12 | 167.2° | 90.0° |
C2 | C3 | C4 | H1 | 180.0° | 90.0° |
C2 | C3 | C4 | S1 | 179.5° | 90.0° |
C2 | C3 | C4 | C5 | 1.1° | 90.0° |
C3 | C2 | C1 | S2 | 172.5° | 90.0° |
C3 | C2 | C1 | C6 | 0.1° | 90.0° |
C3 | C2 | N1 | H6 | 10.4° | 90.0° |
C4 | C3 | C2 | C1 | 0.9° | 90.0° |
C3 | C4 | S1 | C5 | 179.4° | 90.0° |
C3 | C4 | S1 | O5 | 110.9° | 90.0° |
C3 | C4 | S1 | C16 | 129.8° | 90.0° |
C3 | C4 | C5 | C6 | 0.5° | 90.0° |
C3 | C4 | C5 | H14 | 179.5° | 90.0° |
C2 | C1 | S2 | C6 | 172.2° | 90.0° |
C2 | C1 | C6 | C5 | 0.5° | 90.0° |
C1 | C2 | N1 | H6 | 147.2° | 90.0° |
C1 | C2 | C3 | H1 | 179.1° | 90.0° |
C2 | C1 | C6 | H2 | 179.5° | 90.0° |
C4 | S1 | O5 | C16 | 118.1° | 90.0° |
C4 | S1 | C16 | C20 | 104.9° | 90.0° |
S1 | C4 | C5 | C6 | 180.0° | 90.0° |
S1 | C4 | C3 | H1 | 0.5° | 90.0° |
S1 | C4 | C5 | H14 | 0.0° | 90.0° |
C4 | S1 | C16 | H10 | 134.2° | 90.0° |
C4 | S1 | C16 | H11 | 16.0° | 90.0° |
O5 | S1 | C4 | C5 | 68.5° | 90.0° |
O5 | S1 | C16 | C20 | 11.6° | 90.0° |
O5 | S1 | C16 | H10 | 109.3° | 90.0° |
O5 | S1 | C16 | H11 | 132.6° | 90.0° |
C16 | S1 | C4 | C5 | 50.8° | 90.0° |
S1 | C16 | C20 | H10 | 120.9° | 90.0° |
S1 | C16 | C20 | H11 | 120.9° | 90.0° |
S1 | C16 | C20 | C21 | 47.9° | 90.0° |
S1 | C16 | C20 | C19 | 127.4° | 90.0° |
S1 | C16 | H10 | H11 | 117.2° | 90.0° |
C4 | C5 | C6 | C1 | 0.3° | 90.0° |
C4 | C5 | C6 | H14 | 180.0° | 90.0° |
C5 | C4 | C3 | H1 | 178.9° | 90.0° |
C4 | C5 | C6 | H2 | 179.7° | 90.0° |
O2 | C13 | C14 | C15 | 178.9° | 90.0° |
O2 | C13 | C14 | N2 | 1.6° | 90.0° |
O2 | C13 | C12 | H4 | 0.0° | 90.0° |
C13 | C14 | C15 | N2 | 179.5° | 90.0° |
C13 | C14 | N2 | O4 | 161.0° | 90.0° |
C13 | C14 | N2 | O3 | 20.3° | 90.0° |
C13 | C14 | C15 | H5 | 179.9° | 90.0° |
C14 | C13 | O2 | H13 | 0.9° | 90.0° |
C14 | C13 | C12 | H4 | 179.2° | 90.0° |
S2 | C1 | C6 | C5 | 172.0° | 90.0° |
S2 | C1 | C6 | H2 | 8.0° | 90.0° |
C1 | C6 | C5 | H2 | 180.0° | 90.0° |
C1 | C6 | C5 | H14 | 179.7° | 90.0° |
C15 | C14 | N2 | O4 | 19.5° | 90.0° |
C15 | C14 | N2 | O3 | 159.2° | 90.0° |
C14 | N2 | O4 | O3 | 178.8° | 90.0° |
N2 | C14 | C15 | H5 | 0.4° | 90.0° |
C16 | C20 | C21 | CL2 | 1.6° | 90.0° |
C16 | C20 | C21 | C19 | 174.9° | 90.0° |
C16 | C20 | C19 | CL1 | 4.5° | 90.0° |
C16 | C20 | C21 | C22 | 176.9° | 90.0° |
C16 | C20 | C19 | C18 | 178.2° | 90.0° |
C20 | C16 | H10 | H11 | 117.2° | 90.0° |
CL2 | C21 | C20 | C22 | 178.6° | 90.0° |
CL2 | C21 | C20 | C19 | 176.6° | 90.0° |
CL2 | C21 | C22 | C17 | 179.6° | 90.0° |
CL2 | C21 | C22 | H9 | 0.4° | 90.0° |
C21 | C20 | C19 | CL1 | 179.5° | 90.0° |
C21 | C20 | C19 | C18 | 5.8° | 90.0° |
C20 | C21 | C22 | C17 | 1.0° | 90.0° |
C21 | C20 | C16 | H10 | 73.0° | 90.0° |
C21 | C20 | C16 | H11 | 168.8° | 90.0° |
C20 | C21 | C22 | H9 | 179.0° | 90.0° |
C20 | C19 | CL1 | C18 | 173.7° | 90.0° |
C19 | C20 | C21 | C22 | 2.0° | 90.0° |
C20 | C19 | C18 | C17 | 7.0° | 90.0° |
C19 | C20 | C16 | H10 | 111.7° | 90.0° |
C19 | C20 | C16 | H11 | 6.5° | 90.0° |
C20 | C19 | C18 | H8 | 173.0° | 90.0° |
CL1 | C19 | C18 | C17 | 179.3° | 90.0° |
CL1 | C19 | C18 | H8 | 0.6° | 90.0° |
C21 | C22 | C17 | H9 | 180.0° | 90.0° |
C21 | C22 | C17 | C18 | 0.0° | 90.0° |
C21 | C22 | C17 | H7 | 180.0° | 90.0° |
C19 | C18 | C17 | C22 | 4.0° | 90.0° |
C19 | C18 | C17 | H8 | 180.0° | 90.0° |
C19 | C18 | C17 | H7 | 176.0° | 90.0° |
C22 | C17 | C18 | H7 | 180.0° | 90.0° |
C22 | C17 | C18 | H8 | 176.1° | 90.0° |
C18 | C17 | C22 | H9 | 180.0° | 90.0° |
H4 | C12 | C11 | H3 | 2.3° | 90.0° |
H2 | C6 | C5 | H14 | 0.3° | 90.0° |
H9 | C22 | C17 | H7 | 0.0° | 90.0° |
H7 | C17 | C18 | H8 | 4.0° | 90.0° |