8CC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | N13 | doub | 1.32Å | 1.38Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
N13 | C14 | sing | 1.32Å | 1.35Å | Aromatic |
C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
C10 | C07 | sing | 1.48Å | 1.46Å | |
C06 | C07 | sing | 1.41Å | 1.40Å | Aromatic |
C06 | C05 | doub | 1.37Å | 1.40Å | Aromatic |
N02 | C01 | sing | 1.47Å | 1.45Å | |
N02 | C03 | sing | 1.35Å | 1.44Å | |
C07 | C08 | doub | 1.38Å | 1.42Å | Aromatic |
C05 | C03 | sing | 1.47Å | 1.49Å | |
C05 | N09 | sing | 1.38Å | 1.37Å | Aromatic |
C03 | O04 | doub | 1.22Å | 1.22Å | |
C08 | N09 | sing | 1.35Å | 1.37Å | Aromatic |
C15 | H1 | sing | 1.08Å | 1.08Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
N02 | H5 | sing | 0.97Å | 1.00Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
C08 | H7 | sing | 1.08Å | 1.08Å | |
N09 | H8 | sing | 0.97Å | 1.00Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å | |
C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N13 | C12 | C11 | 122.0° | 120.9° |
C12 | N13 | C14 | 121.9° | 122.0° |
N13 | C12 | H10 | 119.0° | 119.6° |
C12 | C11 | C10 | 117.0° | 119.0° |
C12 | C11 | H9 | 121.5° | 120.5° |
C11 | C12 | H10 | 119.0° | 119.5° |
N13 | C14 | C15 | 118.2° | 120.9° |
N13 | C14 | H11 | 120.9° | 119.6° |
C11 | C10 | C15 | 119.1° | 118.2° |
C11 | C10 | C07 | 122.2° | 120.9° |
C10 | C11 | H9 | 121.5° | 120.4° |
C14 | C15 | C10 | 121.7° | 119.0° |
C14 | C15 | H1 | 119.1° | 120.5° |
C15 | C14 | H11 | 120.9° | 119.5° |
C15 | C10 | C07 | 118.3° | 120.9° |
C10 | C15 | H1 | 119.2° | 120.5° |
C10 | C07 | C06 | 127.0° | 126.4° |
C10 | C07 | C08 | 124.7° | 126.4° |
C07 | C06 | C05 | 105.6° | 107.1° |
C06 | C07 | C08 | 108.0° | 107.3° |
C07 | C06 | H6 | 127.2° | 126.4° |
C06 | C05 | C03 | 126.6° | 125.9° |
C06 | C05 | N09 | 110.7° | 108.2° |
C05 | C06 | H6 | 127.2° | 126.5° |
C01 | N02 | C03 | 122.0° | 120.0° |
N02 | C01 | H2 | 109.5° | 109.5° |
N02 | C01 | H3 | 109.5° | 109.5° |
N02 | C01 | H4 | 109.5° | 109.5° |
C01 | N02 | H5 | 119.0° | 120.0° |
N02 | C03 | C05 | 117.9° | 120.0° |
N02 | C03 | O04 | 124.6° | 120.0° |
C03 | N02 | H5 | 119.0° | 119.9° |
C07 | C08 | N09 | 107.9° | 108.4° |
C07 | C08 | H7 | 126.0° | 125.8° |
C03 | C05 | N09 | 122.7° | 125.9° |
C05 | C03 | O04 | 117.5° | 120.0° |
C05 | N09 | C08 | 107.7° | 109.1° |
C05 | N09 | H8 | 126.2° | 125.5° |
N09 | C08 | H7 | 126.1° | 125.8° |
C08 | N09 | H8 | 126.1° | 125.4° |
H2 | C01 | H3 | 109.5° | 109.4° |
H2 | C01 | H4 | 109.4° | 109.5° |
H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N13 | C12 | C11 | H10 | 180.0° | 179.6° |
N13 | C12 | C11 | C10 | 0.5° | 0.0° |
C12 | N13 | C14 | C15 | 2.0° | 0.6° |
N13 | C12 | C11 | H9 | 179.4° | 180.0° |
C12 | N13 | C14 | H11 | 177.9° | 180.0° |
C11 | C12 | N13 | C14 | 2.3° | 0.4° |
C12 | C11 | C10 | H9 | 180.0° | 179.9° |
C12 | C11 | C10 | C15 | 3.3° | 0.0° |
C12 | C11 | C10 | C07 | 175.2° | 179.8° |
N13 | C14 | C15 | H11 | 180.0° | 179.4° |
N13 | C14 | C15 | C10 | 0.9° | 0.6° |
N13 | C14 | C15 | H1 | 179.1° | 179.4° |
C14 | N13 | C12 | H10 | 177.7° | 180.0° |
C11 | C10 | C15 | C14 | 3.6° | 0.2° |
C11 | C10 | C15 | C07 | 172.3° | 179.8° |
C11 | C10 | C07 | C06 | 10.3° | 0.3° |
C11 | C10 | C07 | C08 | 176.8° | 179.8° |
C11 | C10 | C15 | H1 | 176.4° | 179.7° |
C10 | C11 | C12 | H10 | 179.5° | 179.6° |
C14 | C15 | C10 | H1 | 180.0° | 179.9° |
C14 | C15 | C10 | C07 | 175.9° | 180.0° |
C15 | C10 | C07 | C06 | 161.7° | 179.9° |
C15 | C10 | C07 | C08 | 11.2° | 0.1° |
C15 | C10 | C11 | H9 | 176.7° | 179.9° |
C10 | C15 | C14 | H11 | 179.2° | 179.9° |
C10 | C07 | C06 | C08 | 173.8° | 179.9° |
C10 | C07 | C06 | C05 | 176.2° | 180.0° |
C10 | C07 | C08 | N09 | 176.3° | 179.8° |
C07 | C10 | C15 | H1 | 4.1° | 0.1° |
C10 | C07 | C06 | H6 | 3.8° | 0.0° |
C10 | C07 | C08 | H7 | 3.7° | 0.1° |
C07 | C10 | C11 | H9 | 4.7° | 0.3° |
C07 | C06 | C05 | H6 | 180.0° | 180.0° |
C07 | C06 | C05 | C03 | 179.3° | 180.0° |
C07 | C06 | C05 | N09 | 1.6° | 0.2° |
C06 | C07 | C08 | N09 | 2.2° | 0.3° |
C06 | C07 | C08 | H7 | 177.7° | 180.0° |
C06 | C05 | C03 | N02 | 5.6° | 179.8° |
C05 | C06 | C07 | C08 | 2.3° | 0.1° |
C06 | C05 | C03 | N09 | 178.9° | 179.7° |
C06 | C05 | C03 | O04 | 175.3° | 0.2° |
C06 | C05 | N09 | C08 | 0.3° | 0.4° |
C06 | C05 | N09 | H8 | 179.7° | 179.9° |
C01 | N02 | C03 | H5 | 180.0° | 179.9° |
C01 | N02 | C03 | C05 | 179.0° | 180.0° |
C01 | N02 | C03 | O04 | 0.0° | 0.0° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
N02 | C01 | H2 | H4 | 120.0° | 120.1° |
N02 | C01 | H3 | H4 | 120.0° | 120.0° |
N02 | C03 | C05 | O04 | 179.1° | 180.0° |
N02 | C03 | C05 | N09 | 173.3° | 0.0° |
C03 | N02 | C01 | H2 | 180.0° | 59.9° |
C03 | N02 | C01 | H3 | 60.0° | 60.0° |
C03 | N02 | C01 | H4 | 60.0° | 180.0° |
C07 | C08 | N09 | C05 | 1.2° | 0.4° |
C07 | C08 | N09 | H7 | 180.0° | 179.7° |
C08 | C07 | C06 | H6 | 177.7° | 180.0° |
C07 | C08 | N09 | H8 | 178.8° | 179.8° |
C03 | C05 | N09 | C08 | 179.3° | 179.8° |
C05 | C03 | N02 | H5 | 1.0° | 0.0° |
C03 | C05 | C06 | H6 | 0.6° | 0.0° |
C03 | C05 | N09 | H8 | 0.7° | 0.1° |
N09 | C05 | C03 | O04 | 5.8° | 180.0° |
C05 | N09 | C08 | H8 | 180.0° | 179.8° |
N09 | C05 | C06 | H6 | 178.4° | 179.8° |
C05 | N09 | C08 | H7 | 178.8° | 179.9° |
O04 | C03 | N02 | H5 | 180.0° | 179.9° |
H1 | C15 | C14 | H11 | 0.8° | 0.0° |
H2 | C01 | H3 | H4 | 120.0° | 120.0° |
H2 | C01 | N02 | H5 | 0.0° | 120.0° |
H3 | C01 | N02 | H5 | 120.0° | 120.1° |
H4 | C01 | N02 | H5 | 120.0° | 0.1° |
H7 | C08 | N09 | H8 | 1.2° | 0.1° |
H9 | C11 | C12 | H10 | 0.5° | 0.4° |