V7C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C10 | trip | 1.14Å | 1.17Å | |
C10 | C1 | sing | 1.47Å | 1.48Å | |
C | C1 | sing | 1.53Å | 1.52Å | |
C1 | C2 | sing | 1.53Å | 1.58Å | |
C2 | N | sing | 1.46Å | 1.47Å | |
N | C3 | sing | 1.35Å | 1.38Å | |
O | C3 | doub | 1.22Å | 1.19Å | |
C3 | C4 | sing | 1.48Å | 1.49Å | |
C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
C4 | C9 | sing | 1.40Å | 1.37Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
C7 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C9 | H3 | sing | 1.08Å | 1.08Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C2 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C | H9 | sing | 1.09Å | 1.10Å | |
C | H10 | sing | 1.09Å | 1.10Å | |
C | H11 | sing | 1.09Å | 1.10Å | |
N | H12 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C10 | C1 | 175.2° | 180.0° |
C10 | C1 | C | 111.9° | 109.5° |
C10 | C1 | C2 | 118.9° | 109.5° |
C10 | C1 | H4 | 105.7° | 109.5° |
C | C1 | C2 | 109.1° | 109.5° |
C | C1 | H4 | 105.3° | 109.4° |
C1 | C | H9 | 109.5° | 109.5° |
C1 | C | H10 | 109.5° | 109.5° |
C1 | C | H11 | 109.5° | 109.5° |
C1 | C2 | N | 99.5° | 109.5° |
C2 | C1 | H4 | 104.7° | 109.4° |
C1 | C2 | H7 | 111.9° | 109.4° |
C1 | C2 | H8 | 111.9° | 109.4° |
C2 | N | C3 | 119.2° | 120.0° |
N | C2 | H7 | 111.9° | 109.6° |
N | C2 | H8 | 111.9° | 109.5° |
C2 | N | H12 | 120.4° | 120.0° |
N | C3 | O | 118.8° | 120.0° |
N | C3 | C4 | 118.9° | 120.0° |
C3 | N | H12 | 120.4° | 120.0° |
O | C3 | C4 | 122.3° | 120.0° |
C3 | C4 | C5 | 120.2° | 120.1° |
C3 | C4 | C9 | 119.7° | 120.2° |
C5 | C4 | C9 | 119.9° | 119.7° |
C4 | C5 | C6 | 119.2° | 119.8° |
C4 | C5 | H5 | 120.4° | 120.1° |
C4 | C9 | C8 | 121.0° | 119.9° |
C4 | C9 | H3 | 119.5° | 120.1° |
C5 | C6 | C7 | 120.6° | 120.1° |
C6 | C5 | H5 | 120.4° | 120.1° |
C5 | C6 | H6 | 119.7° | 119.9° |
C9 | C8 | C7 | 119.6° | 120.2° |
C9 | C8 | H2 | 120.1° | 120.0° |
C8 | C9 | H3 | 119.5° | 120.0° |
C6 | C7 | C8 | 119.7° | 120.3° |
C6 | C7 | H1 | 120.2° | 119.8° |
C7 | C6 | H6 | 119.7° | 119.9° |
C8 | C7 | H1 | 120.1° | 119.9° |
C7 | C8 | H2 | 120.2° | 119.8° |
H7 | C2 | H8 | 109.5° | 109.5° |
H9 | C | H10 | 109.5° | 109.5° |
H9 | C | H11 | 109.5° | 109.5° |
H10 | C | H11 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C10 | C1 | C | 99.9° | 47.3° |
N1 | C10 | C1 | C2 | 131.4° | 167.4° |
N1 | C10 | C1 | H4 | 14.2° | 72.6° |
C10 | C1 | C | C2 | 133.6° | 120.1° |
C10 | C1 | C | H4 | 114.4° | 120.0° |
C10 | C1 | C2 | H4 | 117.7° | 120.0° |
C10 | C1 | C2 | N | 157.6° | 175.0° |
C10 | C1 | C2 | H7 | 39.2° | 54.9° |
C10 | C1 | C2 | H8 | 84.1° | 65.0° |
C10 | C1 | C | H9 | 180.0° | 60.0° |
C10 | C1 | C | H10 | 60.0° | 180.0° |
C10 | C1 | C | H11 | 60.0° | 60.0° |
C | C1 | C2 | H4 | 112.3° | 119.9° |
C | C1 | C2 | N | 72.5° | 64.9° |
C | C1 | C2 | H7 | 169.2° | 175.0° |
C | C1 | C2 | H8 | 45.9° | 55.0° |
C1 | C | H9 | H10 | 120.0° | 120.1° |
C1 | C | H9 | H11 | 120.0° | 120.0° |
C1 | C | H10 | H11 | 120.0° | 120.0° |
C1 | C2 | N | H7 | 118.3° | 120.0° |
C1 | C2 | N | H8 | 118.3° | 119.9° |
C1 | C2 | N | C3 | 87.9° | 180.0° |
C1 | C2 | H7 | H8 | 124.7° | 119.9° |
C2 | C1 | C | H9 | 46.4° | 180.0° |
C2 | C1 | C | H10 | 73.6° | 59.9° |
C2 | C1 | C | H11 | 166.4° | 60.0° |
C1 | C2 | N | H12 | 92.1° | 0.1° |
C2 | N | C3 | H12 | 180.0° | 179.9° |
C2 | N | C3 | O | 5.8° | 0.1° |
C2 | N | C3 | C4 | 176.0° | 180.0° |
N | C2 | C1 | H4 | 39.9° | 55.0° |
N | C2 | H7 | H8 | 124.6° | 120.0° |
N | C3 | O | C4 | 178.2° | 179.9° |
N | C3 | C4 | C5 | 12.8° | 180.0° |
N | C3 | C4 | C9 | 162.8° | 0.3° |
C3 | N | C2 | H7 | 30.4° | 60.0° |
C3 | N | C2 | H8 | 153.8° | 60.1° |
O | C3 | C4 | C5 | 165.4° | 0.1° |
O | C3 | C4 | C9 | 19.0° | 179.7° |
O | C3 | N | H12 | 174.2° | 180.0° |
C3 | C4 | C5 | C9 | 175.6° | 179.7° |
C3 | C4 | C5 | C6 | 174.7° | 180.0° |
C3 | C4 | C9 | C8 | 174.4° | 180.0° |
C3 | C4 | C9 | H3 | 5.6° | 0.0° |
C3 | C4 | C5 | H5 | 5.3° | 0.0° |
C4 | C3 | N | H12 | 4.0° | 0.1° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C5 | C4 | C9 | C8 | 1.2° | 0.3° |
C4 | C5 | C6 | C7 | 0.2° | 0.0° |
C5 | C4 | C9 | H3 | 178.8° | 179.8° |
C4 | C5 | C6 | H6 | 179.8° | 180.0° |
C9 | C4 | C5 | C6 | 0.9° | 0.3° |
C4 | C9 | C8 | H3 | 180.0° | 180.0° |
C4 | C9 | C8 | C7 | 0.9° | 0.0° |
C4 | C9 | C8 | H2 | 179.1° | 180.0° |
C9 | C4 | C5 | H5 | 179.1° | 179.7° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 0.2° | 0.3° |
C5 | C6 | C7 | H1 | 179.8° | 180.0° |
C9 | C8 | C7 | C6 | 0.2° | 0.3° |
C9 | C8 | C7 | H2 | 180.0° | 180.0° |
C9 | C8 | C7 | H1 | 179.8° | 180.0° |
C6 | C7 | C8 | H1 | 180.0° | 179.7° |
C6 | C7 | C8 | H2 | 179.8° | 179.7° |
C7 | C6 | C5 | H5 | 179.8° | 180.0° |
C7 | C8 | C9 | H3 | 179.1° | 179.9° |
C8 | C7 | C6 | H6 | 179.8° | 179.7° |
H1 | C7 | C8 | H2 | 0.2° | 0.0° |
H1 | C7 | C6 | H6 | 0.2° | 0.0° |
H2 | C8 | C9 | H3 | 0.9° | 0.0° |
H4 | C1 | C2 | H7 | 78.5° | 65.1° |
H4 | C1 | C2 | H8 | 158.2° | 175.0° |
H4 | C1 | C | H9 | 65.6° | 60.0° |
H4 | C1 | C | H10 | 174.4° | 60.0° |
H4 | C1 | C | H11 | 54.4° | 180.0° |
H5 | C5 | C6 | H6 | 0.2° | 0.0° |
H7 | C2 | N | H12 | 149.6° | 119.9° |
H8 | C2 | N | H12 | 26.3° | 120.0° |
H9 | C | H10 | H11 | 120.0° | 119.9° |