N6Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C8 | sing | 1.53Å | 1.51Å | |
C4 | C3 | doub | 1.33Å | 1.36Å | |
C8 | C9 | sing | 1.53Å | 1.50Å | |
C8 | C7 | sing | 1.53Å | 1.33Å | |
C7 | C6 | sing | 1.53Å | 1.51Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C3 | C5 | sing | 1.51Å | 1.53Å | |
C3 | C2 | sing | 1.47Å | 1.41Å | |
C1 | C2 | doub | 1.33Å | 1.31Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C1 | H2 | sing | 1.08Å | 1.08Å | |
C2 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C4 | H5 | sing | 1.08Å | 1.08Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C8 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
C9 | H15 | sing | 1.09Å | 1.10Å | |
C10 | H16 | sing | 1.09Å | 1.10Å | |
C10 | H17 | sing | 1.09Å | 1.10Å | |
C10 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C8 | C9 | 113.8° | 109.5° |
C10 | C8 | C7 | 123.0° | 109.5° |
C10 | C8 | H12 | 90.2° | 109.4° |
C8 | C10 | H16 | 109.5° | 109.5° |
C8 | C10 | H17 | 109.5° | 109.5° |
C8 | C10 | H18 | 109.5° | 109.5° |
C4 | C3 | C5 | 122.6° | 120.0° |
C4 | C3 | C2 | 121.7° | 120.0° |
C3 | C4 | H4 | 120.0° | 120.0° |
C3 | C4 | H5 | 120.0° | 120.0° |
C9 | C8 | C7 | 123.1° | 109.5° |
C9 | C8 | H12 | 90.2° | 109.5° |
C8 | C9 | H13 | 109.5° | 109.4° |
C8 | C9 | H14 | 109.5° | 109.5° |
C8 | C9 | H15 | 109.5° | 109.5° |
C8 | C7 | C6 | 129.2° | 109.5° |
C8 | C7 | H10 | 104.3° | 109.4° |
C8 | C7 | H11 | 104.4° | 109.5° |
C7 | C8 | H12 | 90.2° | 109.5° |
C7 | C6 | C5 | 115.5° | 109.4° |
C7 | C6 | H8 | 107.9° | 109.5° |
C7 | C6 | H9 | 108.0° | 109.5° |
C6 | C7 | H10 | 104.3° | 109.5° |
C6 | C7 | H11 | 104.3° | 109.5° |
C6 | C5 | C3 | 117.3° | 109.5° |
C6 | C5 | H6 | 107.5° | 109.5° |
C6 | C5 | H7 | 107.5° | 109.5° |
C5 | C6 | H8 | 108.0° | 109.4° |
C5 | C6 | H9 | 108.0° | 109.5° |
C5 | C3 | C2 | 115.8° | 120.1° |
C3 | C5 | H6 | 107.5° | 109.4° |
C3 | C5 | H7 | 107.5° | 109.5° |
C3 | C2 | C1 | 126.8° | 119.9° |
C3 | C2 | H3 | 116.6° | 120.1° |
C2 | C1 | H1 | 120.0° | 120.1° |
C2 | C1 | H2 | 120.0° | 120.0° |
C1 | C2 | H3 | 116.6° | 120.0° |
H1 | C1 | H2 | 120.0° | 119.9° |
H4 | C4 | H5 | 120.0° | 120.0° |
H6 | C5 | H7 | 109.5° | 109.5° |
H8 | C6 | H9 | 109.5° | 109.5° |
H10 | C7 | H11 | 109.4° | 109.5° |
H13 | C9 | H14 | 109.4° | 109.5° |
H13 | C9 | H15 | 109.5° | 109.5° |
H14 | C9 | H15 | 109.5° | 109.5° |
H16 | C10 | H17 | 109.5° | 109.5° |
H16 | C10 | H18 | 109.4° | 109.4° |
H17 | C10 | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C8 | C9 | C7 | 179.2° | 120.0° |
C10 | C8 | C9 | H12 | 90.3° | 120.0° |
C10 | C8 | C7 | H12 | 90.4° | 120.0° |
C10 | C8 | C7 | C6 | 154.9° | 175.0° |
C10 | C8 | C7 | H10 | 82.5° | 65.0° |
C10 | C8 | C7 | H11 | 32.3° | 54.9° |
C10 | C8 | C9 | H13 | 180.0° | 180.0° |
C10 | C8 | C9 | H14 | 60.0° | 60.0° |
C10 | C8 | C9 | H15 | 60.0° | 60.0° |
C8 | C10 | H16 | H17 | 120.0° | 120.0° |
C8 | C10 | H16 | H18 | 120.0° | 120.0° |
C8 | C10 | H17 | H18 | 120.0° | 120.0° |
C4 | C3 | C5 | C6 | 29.8° | 95.0° |
C4 | C3 | C5 | C2 | 179.0° | 180.0° |
C4 | C3 | C2 | C1 | 11.0° | 180.0° |
C4 | C3 | C2 | H3 | 169.0° | 0.0° |
C3 | C4 | H4 | H5 | 180.0° | 180.0° |
C4 | C3 | C5 | H6 | 91.3° | 145.0° |
C4 | C3 | C5 | H7 | 150.9° | 25.0° |
C9 | C8 | C7 | H12 | 90.4° | 120.0° |
C9 | C8 | C7 | C6 | 24.3° | 65.0° |
C9 | C8 | C7 | H10 | 98.3° | 55.0° |
C9 | C8 | C7 | H11 | 146.9° | 175.0° |
C8 | C9 | H13 | H14 | 120.0° | 120.0° |
C8 | C9 | H13 | H15 | 120.0° | 120.0° |
C8 | C9 | H14 | H15 | 120.0° | 120.0° |
C9 | C8 | C10 | H16 | 180.0° | 60.0° |
C9 | C8 | C10 | H17 | 60.0° | 180.0° |
C9 | C8 | C10 | H18 | 60.0° | 60.0° |
C8 | C7 | C6 | H10 | 122.6° | 120.0° |
C8 | C7 | C6 | H11 | 122.6° | 120.0° |
C8 | C7 | C6 | C5 | 150.5° | 180.0° |
C8 | C7 | C6 | H8 | 88.6° | 60.0° |
C8 | C7 | C6 | H9 | 29.6° | 60.0° |
C8 | C7 | H10 | H11 | 111.2° | 119.9° |
C7 | C8 | C9 | H13 | 0.7° | 60.0° |
C7 | C8 | C9 | H14 | 119.2° | 60.0° |
C7 | C8 | C9 | H15 | 120.7° | 180.0° |
C7 | C8 | C10 | H16 | 0.7° | 60.0° |
C7 | C8 | C10 | H17 | 120.7° | 60.0° |
C7 | C8 | C10 | H18 | 119.2° | 180.0° |
C7 | C6 | C5 | H8 | 120.9° | 120.0° |
C7 | C6 | C5 | H9 | 120.9° | 120.0° |
C7 | C6 | C5 | C3 | 84.6° | 180.0° |
C7 | C6 | C5 | H6 | 154.3° | 60.1° |
C7 | C6 | C5 | H7 | 36.6° | 60.0° |
C7 | C6 | H8 | H9 | 117.3° | 120.1° |
C6 | C7 | H10 | H11 | 111.2° | 120.0° |
C6 | C7 | C8 | H12 | 114.7° | 55.0° |
C6 | C5 | C3 | H6 | 121.1° | 119.9° |
C6 | C5 | C3 | H7 | 121.1° | 120.0° |
C6 | C5 | C3 | C2 | 151.2° | 84.9° |
C6 | C5 | H6 | H7 | 116.4° | 120.1° |
C5 | C6 | H8 | H9 | 117.3° | 120.0° |
C5 | C6 | C7 | H10 | 27.9° | 60.0° |
C5 | C6 | C7 | H11 | 86.9° | 60.0° |
C5 | C3 | C2 | C1 | 168.0° | 0.0° |
C5 | C3 | C2 | H3 | 12.0° | 180.0° |
C5 | C3 | C4 | H4 | 178.9° | 180.0° |
C5 | C3 | C4 | H5 | 1.0° | 0.0° |
C3 | C5 | H6 | H7 | 116.5° | 120.0° |
C3 | C5 | C6 | H8 | 36.3° | 60.0° |
C3 | C5 | C6 | H9 | 154.6° | 60.0° |
C3 | C2 | C1 | H3 | 180.0° | 180.0° |
C3 | C2 | C1 | H1 | 0.0° | 0.0° |
C3 | C2 | C1 | H2 | 180.0° | 179.7° |
C2 | C3 | C4 | H4 | 0.0° | 0.0° |
C2 | C3 | C4 | H5 | 180.0° | 180.0° |
C2 | C3 | C5 | H6 | 87.7° | 35.0° |
C2 | C3 | C5 | H7 | 30.1° | 155.0° |
C2 | C1 | H1 | H2 | 180.0° | 179.7° |
H1 | C1 | C2 | H3 | 180.0° | 180.0° |
H2 | C1 | C2 | H3 | 0.0° | 0.3° |
H6 | C5 | C6 | H8 | 84.8° | 179.9° |
H6 | C5 | C6 | H9 | 33.4° | 59.9° |
H7 | C5 | C6 | H8 | 157.4° | 60.0° |
H7 | C5 | C6 | H9 | 84.3° | 180.0° |
H8 | C6 | C7 | H10 | 148.8° | 180.0° |
H8 | C6 | C7 | H11 | 34.0° | 60.0° |
H9 | C6 | C7 | H10 | 92.9° | 60.0° |
H9 | C6 | C7 | H11 | 152.2° | 180.0° |
H10 | C7 | C8 | H12 | 7.9° | 175.0° |
H11 | C7 | C8 | H12 | 122.7° | 65.0° |
H12 | C8 | C9 | H13 | 89.7° | 60.0° |
H12 | C8 | C9 | H14 | 150.3° | 180.0° |
H12 | C8 | C9 | H15 | 30.3° | 60.0° |
H12 | C8 | C10 | H16 | 89.7° | 180.0° |
H12 | C8 | C10 | H17 | 30.3° | 60.0° |
H12 | C8 | C10 | H18 | 150.3° | 60.0° |
H13 | C9 | H14 | H15 | 120.0° | 120.0° |
H16 | C10 | H17 | H18 | 120.0° | 119.9° |