8A8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.21Å | 1.26Å | |
N2 | C2 | sing | 1.35Å | 1.37Å | |
N2 | N1 | doub | 1.23Å | 1.41Å | |
C2 | C3 | sing | 1.48Å | 1.42Å | |
N1 | C1 | sing | 1.35Å | 1.34Å | |
C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
C3 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
C1 | C15 | sing | 1.48Å | 1.43Å | |
C1 | O1 | doub | 1.21Å | 1.25Å | |
C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C5 | O3 | sing | 1.36Å | 1.37Å | |
C5 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
C6 | O3 | sing | 1.43Å | 1.44Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C14 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
C12 | C7 | sing | 1.53Å | 1.52Å | |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C11 | C10 | sing | 1.53Å | 1.52Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C10 | C9 | sing | 1.53Å | 1.52Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C14 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C11 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C9 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C10 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | N2 | 118.6° | 120.7° |
O2 | C2 | C3 | 124.0° | 120.7° |
C2 | N2 | N1 | 121.8° | 124.3° |
N2 | C2 | C3 | 117.2° | 118.6° |
N2 | N1 | C1 | 122.1° | 124.5° |
C2 | C3 | C4 | 120.8° | 123.0° |
C2 | C3 | C15 | 120.2° | 117.0° |
N1 | C1 | C15 | 117.8° | 118.7° |
N1 | C1 | O1 | 118.0° | 120.7° |
C4 | C3 | C15 | 118.9° | 120.1° |
C3 | C4 | C5 | 120.4° | 119.3° |
C3 | C4 | H1 | 119.8° | 120.4° |
C3 | C15 | C1 | 120.6° | 116.9° |
C3 | C15 | C14 | 119.4° | 120.1° |
C15 | C1 | O1 | 124.2° | 120.6° |
C1 | C15 | C14 | 120.0° | 123.0° |
C4 | C5 | O3 | 124.2° | 119.7° |
C4 | C5 | C13 | 119.7° | 120.5° |
C5 | C4 | H1 | 119.8° | 120.4° |
C15 | C14 | C13 | 121.2° | 119.4° |
C15 | C14 | H2 | 119.4° | 120.3° |
O3 | C5 | C13 | 116.1° | 119.8° |
C5 | O3 | C6 | 117.1° | 117.0° |
C5 | C13 | C14 | 120.3° | 120.6° |
C5 | C13 | H16 | 119.9° | 119.7° |
O3 | C6 | C7 | 109.9° | 109.4° |
O3 | C6 | H3 | 109.4° | 109.5° |
O3 | C6 | H4 | 109.4° | 109.4° |
C6 | C7 | C12 | 110.9° | 109.5° |
C6 | C7 | C8 | 110.7° | 109.4° |
C7 | C6 | H3 | 109.3° | 109.5° |
C7 | C6 | H4 | 109.4° | 109.5° |
C6 | C7 | H7 | 108.3° | 109.5° |
C13 | C14 | H2 | 119.4° | 120.2° |
C14 | C13 | H16 | 119.8° | 119.7° |
C7 | C12 | C11 | 112.1° | 109.5° |
C12 | C7 | C8 | 110.3° | 109.5° |
C12 | C7 | H7 | 108.2° | 109.5° |
C7 | C12 | H14 | 108.8° | 109.5° |
C7 | C12 | H15 | 108.8° | 109.5° |
C12 | C11 | C10 | 111.6° | 109.5° |
C12 | C11 | H5 | 108.9° | 109.5° |
C12 | C11 | H6 | 108.9° | 109.5° |
C11 | C12 | H14 | 108.8° | 109.5° |
C11 | C12 | H15 | 108.8° | 109.5° |
C7 | C8 | C9 | 111.8° | 109.5° |
C8 | C7 | H7 | 108.3° | 109.5° |
C7 | C8 | H8 | 108.9° | 109.4° |
C7 | C8 | H9 | 108.9° | 109.4° |
C11 | C10 | C9 | 111.3° | 109.5° |
C10 | C11 | H5 | 108.9° | 109.5° |
C10 | C11 | H6 | 108.9° | 109.5° |
C11 | C10 | H12 | 109.0° | 109.5° |
C11 | C10 | H13 | 109.0° | 109.5° |
C8 | C9 | C10 | 111.2° | 109.5° |
C9 | C8 | H8 | 108.9° | 109.5° |
C9 | C8 | H9 | 108.9° | 109.5° |
C8 | C9 | H10 | 109.0° | 109.5° |
C8 | C9 | H11 | 109.1° | 109.5° |
C10 | C9 | H10 | 109.1° | 109.4° |
C10 | C9 | H11 | 109.0° | 109.4° |
C9 | C10 | H12 | 109.0° | 109.5° |
C9 | C10 | H13 | 109.0° | 109.4° |
H3 | C6 | H4 | 109.5° | 109.5° |
H5 | C11 | H6 | 109.5° | 109.5° |
H8 | C8 | H9 | 109.5° | 109.5° |
H10 | C9 | H11 | 109.4° | 109.5° |
H12 | C10 | H13 | 109.5° | 109.4° |
H14 | C12 | H15 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | N2 | C3 | 175.6° | 180.0° |
O2 | C2 | N2 | N1 | 179.8° | 180.0° |
O2 | C2 | C3 | C4 | 2.3° | 0.0° |
O2 | C2 | C3 | C15 | 178.7° | 180.0° |
C2 | N2 | N1 | C1 | 1.2° | 0.0° |
N2 | C2 | C3 | C4 | 177.6° | 180.0° |
N2 | C2 | C3 | C15 | 6.0° | 0.0° |
N1 | N2 | C2 | C3 | 4.6° | 0.0° |
N2 | N1 | C1 | C15 | 0.9° | 0.0° |
N2 | N1 | C1 | O1 | 179.2° | 179.9° |
C2 | C3 | C4 | C15 | 176.5° | 180.0° |
C2 | C3 | C15 | C1 | 4.1° | 0.0° |
C2 | C3 | C4 | C5 | 177.8° | 179.9° |
C2 | C3 | C15 | C14 | 177.3° | 179.4° |
C2 | C3 | C4 | H1 | 2.2° | 0.3° |
N1 | C1 | C15 | C3 | 0.6° | 0.0° |
N1 | C1 | C15 | O1 | 178.2° | 179.9° |
N1 | C1 | C15 | C14 | 179.1° | 179.3° |
C4 | C3 | C15 | C1 | 179.4° | 180.0° |
C3 | C4 | C5 | H1 | 180.0° | 179.8° |
C4 | C3 | C15 | C14 | 0.8° | 0.7° |
C3 | C4 | C5 | O3 | 179.4° | 179.7° |
C3 | C4 | C5 | C13 | 1.8° | 0.2° |
C3 | C15 | C1 | C14 | 178.5° | 179.3° |
C3 | C15 | C1 | O1 | 177.6° | 179.9° |
C15 | C3 | C4 | C5 | 1.3° | 0.1° |
C3 | C15 | C14 | C13 | 0.9° | 1.0° |
C15 | C3 | C4 | H1 | 178.7° | 179.7° |
C3 | C15 | C14 | H2 | 179.1° | 179.7° |
C1 | C15 | C14 | C13 | 179.4° | 179.8° |
C1 | C15 | C14 | H2 | 0.6° | 0.4° |
O1 | C1 | C15 | C14 | 1.0° | 0.6° |
C4 | C5 | O3 | C13 | 178.9° | 179.9° |
C4 | C5 | O3 | C6 | 18.7° | 180.0° |
C4 | C5 | C13 | C14 | 1.8° | 0.1° |
C4 | C5 | C13 | H16 | 178.2° | 180.0° |
C15 | C14 | C13 | C5 | 1.3° | 0.7° |
C15 | C14 | C13 | H2 | 180.0° | 179.4° |
C15 | C14 | C13 | H16 | 178.6° | 179.4° |
C5 | O3 | C6 | C7 | 171.4° | 180.0° |
O3 | C5 | C13 | C14 | 179.3° | 180.0° |
O3 | C5 | C4 | H1 | 0.6° | 0.1° |
C5 | O3 | C6 | H3 | 68.5° | 60.0° |
C5 | O3 | C6 | H4 | 51.3° | 60.0° |
O3 | C5 | C13 | H16 | 0.7° | 0.0° |
C13 | C5 | O3 | C6 | 162.5° | 0.1° |
C5 | C13 | C14 | H16 | 180.0° | 179.9° |
C13 | C5 | C4 | H1 | 178.2° | 180.0° |
C5 | C13 | C14 | H2 | 178.7° | 180.0° |
O3 | C6 | C7 | H3 | 120.1° | 120.0° |
O3 | C6 | C7 | H4 | 120.1° | 119.9° |
O3 | C6 | C7 | C12 | 179.0° | 65.0° |
O3 | C6 | C7 | C8 | 58.3° | 175.0° |
O3 | C6 | H3 | H4 | 119.9° | 120.0° |
O3 | C6 | C7 | H7 | 60.3° | 55.0° |
C6 | C7 | C12 | C8 | 123.0° | 120.0° |
C6 | C7 | C12 | H7 | 118.7° | 120.0° |
C6 | C7 | C12 | C11 | 177.5° | 180.0° |
C6 | C7 | C8 | H7 | 118.6° | 120.0° |
C6 | C7 | C8 | C9 | 178.6° | 180.0° |
C7 | C6 | H3 | H4 | 119.8° | 120.1° |
C6 | C7 | C8 | H8 | 58.2° | 60.0° |
C6 | C7 | C8 | H9 | 61.1° | 60.0° |
C6 | C7 | C12 | H14 | 62.1° | 60.0° |
C6 | C7 | C12 | H15 | 57.1° | 60.0° |
C7 | C12 | C11 | H14 | 120.4° | 120.0° |
C7 | C12 | C11 | H15 | 120.4° | 120.0° |
C12 | C7 | C8 | H7 | 118.3° | 120.0° |
C7 | C12 | C11 | C10 | 54.4° | 60.0° |
C12 | C7 | C8 | C9 | 55.4° | 60.0° |
C12 | C7 | C6 | H3 | 58.9° | 175.0° |
C12 | C7 | C6 | H4 | 60.9° | 54.9° |
C7 | C12 | C11 | H5 | 65.9° | 180.0° |
C7 | C12 | C11 | H6 | 174.7° | 60.0° |
C12 | C7 | C8 | H8 | 64.9° | 60.0° |
C12 | C7 | C8 | H9 | 175.8° | 180.0° |
C7 | C12 | H14 | H15 | 118.8° | 120.0° |
C11 | C12 | C7 | C8 | 54.6° | 60.0° |
C12 | C11 | C10 | H5 | 120.3° | 120.0° |
C12 | C11 | C10 | H6 | 120.3° | 120.0° |
C12 | C11 | C10 | C9 | 54.2° | 59.9° |
C12 | C11 | H5 | H6 | 119.0° | 120.0° |
C11 | C12 | C7 | H7 | 63.8° | 60.0° |
C12 | C11 | C10 | H12 | 174.5° | 180.0° |
C12 | C11 | C10 | H13 | 66.1° | 60.0° |
C11 | C12 | H14 | H15 | 118.8° | 120.0° |
C7 | C8 | C9 | H8 | 120.4° | 120.0° |
C7 | C8 | C9 | H9 | 120.3° | 120.0° |
C7 | C8 | C9 | C10 | 56.2° | 60.0° |
C8 | C7 | C6 | H3 | 178.3° | 55.0° |
C8 | C7 | C6 | H4 | 61.8° | 65.1° |
C7 | C8 | H8 | H9 | 118.9° | 119.9° |
C7 | C8 | C9 | H10 | 176.5° | 180.0° |
C7 | C8 | C9 | H11 | 64.1° | 60.0° |
C8 | C7 | C12 | H14 | 174.9° | 60.0° |
C8 | C7 | C12 | H15 | 65.8° | 180.0° |
C11 | C10 | C9 | C8 | 55.0° | 60.0° |
C11 | C10 | C9 | H12 | 120.3° | 120.1° |
C11 | C10 | C9 | H13 | 120.3° | 120.0° |
C10 | C11 | H5 | H6 | 119.0° | 120.0° |
C11 | C10 | C9 | H10 | 175.3° | 180.0° |
C11 | C10 | C9 | H11 | 65.3° | 60.1° |
C11 | C10 | H12 | H13 | 119.1° | 120.0° |
C10 | C11 | C12 | H14 | 174.8° | 60.0° |
C10 | C11 | C12 | H15 | 66.0° | 180.0° |
C8 | C9 | C10 | H10 | 120.3° | 120.0° |
C8 | C9 | C10 | H11 | 120.3° | 120.1° |
C9 | C8 | C7 | H7 | 62.8° | 60.0° |
C9 | C8 | H8 | H9 | 118.9° | 120.1° |
C8 | C9 | H10 | H11 | 119.2° | 120.0° |
C8 | C9 | C10 | H12 | 175.3° | 180.0° |
C8 | C9 | C10 | H13 | 65.2° | 60.0° |
C9 | C10 | C11 | H5 | 66.2° | 180.0° |
C9 | C10 | C11 | H6 | 174.4° | 60.0° |
C10 | C9 | C8 | H8 | 64.2° | 60.0° |
C10 | C9 | C8 | H9 | 176.5° | 180.0° |
C10 | C9 | H10 | H11 | 119.2° | 119.9° |
C9 | C10 | H12 | H13 | 119.2° | 119.9° |
H2 | C14 | C13 | H16 | 1.3° | 0.0° |
H3 | C6 | C7 | H7 | 59.7° | 65.0° |
H4 | C6 | C7 | H7 | 179.6° | 175.0° |
H5 | C11 | C10 | H12 | 54.1° | 60.0° |
H5 | C11 | C10 | H13 | 173.6° | 60.0° |
H5 | C11 | C12 | H14 | 54.5° | 60.0° |
H5 | C11 | C12 | H15 | 173.7° | 60.0° |
H6 | C11 | C10 | H12 | 65.3° | 60.0° |
H6 | C11 | C10 | H13 | 54.2° | 180.0° |
H6 | C11 | C12 | H14 | 64.9° | 180.0° |
H6 | C11 | C12 | H15 | 54.3° | 60.0° |
H7 | C7 | C8 | H8 | 176.8° | 180.0° |
H7 | C7 | C8 | H9 | 57.5° | 60.0° |
H7 | C7 | C12 | H14 | 56.6° | 180.0° |
H7 | C7 | C12 | H15 | 175.8° | 60.0° |
H8 | C8 | C9 | H10 | 56.1° | 60.0° |
H8 | C8 | C9 | H11 | 175.6° | 180.0° |
H9 | C8 | C9 | H10 | 63.2° | 60.0° |
H9 | C8 | C9 | H11 | 56.2° | 60.0° |
H10 | C9 | C10 | H12 | 64.4° | 60.0° |
H10 | C9 | C10 | H13 | 55.0° | 60.0° |
H11 | C9 | C10 | H12 | 55.0° | 60.0° |
H11 | C9 | C10 | H13 | 174.5° | 179.9° |