J5V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | sing | 1.51Å | 1.53Å | |
O | C1 | doub | 1.21Å | 1.24Å | |
C1 | N | sing | 1.35Å | 1.38Å | |
N | C2 | sing | 1.47Å | 1.46Å | |
C2 | C3 | sing | 1.47Å | 1.52Å | |
C3 | C4 | trip | 1.17Å | 1.22Å | |
C4 | C5 | sing | 1.43Å | 1.36Å | |
C6 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
C6 | H1 | sing | 1.08Å | 1.08Å | |
C7 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.08Å | 1.08Å | |
C | H5 | sing | 1.09Å | 1.10Å | |
C | H6 | sing | 1.09Å | 1.10Å | |
C | H7 | sing | 1.09Å | 1.10Å | |
N | H8 | sing | 0.97Å | 1.00Å | |
C2 | H9 | sing | 1.09Å | 1.10Å | |
C2 | H10 | sing | 1.09Å | 1.10Å | |
C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | C1 | O | 119.3° | 120.0° |
C | C1 | N | 114.6° | 120.0° |
C1 | C | H5 | 109.5° | 109.5° |
C1 | C | H6 | 109.5° | 109.5° |
C1 | C | H7 | 109.5° | 109.4° |
O | C1 | N | 125.9° | 120.0° |
C1 | N | C2 | 125.3° | 120.0° |
C1 | N | H8 | 117.3° | 120.0° |
N | C2 | C3 | 114.6° | 109.5° |
C2 | N | H8 | 117.3° | 119.9° |
N | C2 | H9 | 108.2° | 109.5° |
N | C2 | H10 | 108.2° | 109.4° |
C2 | C3 | C4 | 177.7° | 180.0° |
C3 | C2 | H9 | 108.2° | 109.5° |
C3 | C2 | H10 | 108.2° | 109.5° |
C3 | C4 | C5 | 174.1° | 179.9° |
C4 | C5 | C6 | 121.9° | 120.2° |
C4 | C5 | C10 | 120.4° | 120.2° |
C5 | C6 | C7 | 120.7° | 119.9° |
C6 | C5 | C10 | 117.8° | 119.7° |
C5 | C6 | H1 | 119.7° | 120.0° |
C6 | C7 | C8 | 120.8° | 120.2° |
C7 | C6 | H1 | 119.7° | 120.1° |
C6 | C7 | H2 | 119.6° | 119.9° |
C5 | C10 | C9 | 120.8° | 119.9° |
C5 | C10 | H4 | 119.6° | 120.0° |
C7 | C8 | C9 | 119.6° | 120.3° |
C8 | C7 | H2 | 119.6° | 119.9° |
C7 | C8 | H3 | 120.2° | 119.9° |
C10 | C9 | C8 | 120.3° | 120.1° |
C9 | C10 | H4 | 119.6° | 120.1° |
C10 | C9 | H11 | 119.9° | 119.9° |
C9 | C8 | H3 | 120.2° | 119.9° |
C8 | C9 | H11 | 119.8° | 120.0° |
H5 | C | H6 | 109.4° | 109.5° |
H5 | C | H7 | 109.5° | 109.5° |
H6 | C | H7 | 109.5° | 109.5° |
H9 | C2 | H10 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | C1 | O | N | 176.1° | 179.9° |
C | C1 | N | C2 | 178.9° | 180.0° |
C1 | C | H5 | H6 | 120.0° | 120.0° |
C1 | C | H5 | H7 | 120.0° | 120.0° |
C1 | C | H6 | H7 | 120.0° | 120.0° |
C | C1 | N | H8 | 1.1° | 0.0° |
O | C1 | N | C2 | 4.8° | 0.0° |
O | C1 | C | H5 | 0.0° | 0.0° |
O | C1 | C | H6 | 120.0° | 119.9° |
O | C1 | C | H7 | 120.0° | 120.1° |
O | C1 | N | H8 | 175.2° | 179.9° |
C1 | N | C2 | H8 | 180.0° | 179.9° |
C1 | N | C2 | C3 | 106.2° | 180.0° |
N | C1 | C | H5 | 176.6° | 180.0° |
N | C1 | C | H6 | 63.4° | 60.0° |
N | C1 | C | H7 | 56.6° | 60.0° |
C1 | N | C2 | H9 | 14.5° | 59.9° |
C1 | N | C2 | H10 | 133.0° | 60.0° |
N | C2 | C3 | H9 | 120.7° | 120.1° |
N | C2 | C3 | H10 | 120.7° | 120.0° |
N | C2 | C3 | C4 | 126.7° | 12.8° |
N | C2 | H9 | H10 | 117.7° | 120.0° |
C2 | C3 | C4 | C5 | 93.8° | 132.3° |
C3 | C2 | N | H8 | 73.8° | 0.1° |
C3 | C2 | H9 | H10 | 117.7° | 120.0° |
C3 | C4 | C5 | C6 | 71.4° | 119.2° |
C3 | C4 | C5 | C10 | 109.3° | 60.5° |
C4 | C3 | C2 | H9 | 6.0° | 132.9° |
C4 | C3 | C2 | H10 | 112.5° | 107.2° |
C4 | C5 | C6 | C10 | 179.3° | 179.8° |
C4 | C5 | C6 | C7 | 178.5° | 180.0° |
C4 | C5 | C10 | C9 | 179.3° | 179.7° |
C4 | C5 | C6 | H1 | 1.5° | 0.0° |
C4 | C5 | C10 | H4 | 0.7° | 0.0° |
C5 | C6 | C7 | H1 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 1.9° | 0.0° |
C6 | C5 | C10 | C9 | 1.4° | 0.6° |
C5 | C6 | C7 | H2 | 178.0° | 180.0° |
C6 | C5 | C10 | H4 | 178.6° | 179.7° |
C7 | C6 | C5 | C10 | 0.8° | 0.3° |
C6 | C7 | C8 | H2 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.8° | 0.0° |
C6 | C7 | C8 | H3 | 179.2° | 180.0° |
C5 | C10 | C9 | H4 | 180.0° | 179.7° |
C5 | C10 | C9 | C8 | 2.5° | 0.6° |
C10 | C5 | C6 | H1 | 179.2° | 179.7° |
C5 | C10 | C9 | H11 | 177.5° | 179.7° |
C7 | C8 | C9 | C10 | 1.4° | 0.3° |
C7 | C8 | C9 | H3 | 180.0° | 180.0° |
C8 | C7 | C6 | H1 | 178.0° | 180.0° |
C7 | C8 | C9 | H11 | 178.6° | 180.0° |
C10 | C9 | C8 | H11 | 180.0° | 179.7° |
C10 | C9 | C8 | H3 | 178.6° | 179.7° |
C9 | C8 | C7 | H2 | 179.1° | 180.0° |
C8 | C9 | C10 | H4 | 177.5° | 179.7° |
H1 | C6 | C7 | H2 | 2.0° | 0.0° |
H2 | C7 | C8 | H3 | 0.9° | 0.0° |
H3 | C8 | C9 | H11 | 1.4° | 0.0° |
H4 | C10 | C9 | H11 | 2.5° | 0.0° |
H5 | C | H6 | H7 | 120.0° | 120.1° |
H8 | N | C2 | H9 | 165.5° | 120.0° |
H8 | N | C2 | H10 | 47.0° | 120.1° |