FN1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F13 | C4 | sing | 1.35Å | 1.33Å | |
C4 | C5 | doub | 1.38Å | 1.50Å | Aromatic |
C4 | C3 | sing | 1.39Å | 1.32Å | Aromatic |
C5 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
C3 | C2 | doub | 1.39Å | 1.48Å | Aromatic |
N1 | C1 | doub | 1.32Å | 1.47Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
C2 | C6 | sing | 1.51Å | 1.47Å | |
C6 | C7 | sing | 1.54Å | 1.45Å | |
C6 | N2 | sing | 1.47Å | 1.41Å | |
C7 | C8 | sing | 1.55Å | 1.45Å | |
N2 | C10 | sing | 1.47Å | 1.42Å | |
N2 | C9 | sing | 1.48Å | 1.46Å | |
C8 | C9 | sing | 1.55Å | 1.48Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C10 | H103 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F13 | C4 | C5 | 120.5° | 120.5° |
F13 | C4 | C3 | 118.2° | 120.5° |
C5 | C4 | C3 | 121.2° | 119.1° |
C4 | C5 | N1 | 119.1° | 120.7° |
C4 | C5 | H5 | 120.4° | 119.6° |
C4 | C3 | C2 | 120.2° | 118.4° |
C4 | C3 | H3 | 119.9° | 120.8° |
C5 | N1 | C1 | 119.4° | 121.7° |
N1 | C5 | H5 | 120.4° | 119.7° |
C3 | C2 | C1 | 119.0° | 119.2° |
C3 | C2 | C6 | 115.3° | 120.4° |
C2 | C3 | H3 | 119.9° | 120.8° |
N1 | C1 | C2 | 121.1° | 120.9° |
N1 | C1 | H1 | 119.4° | 119.5° |
C1 | C2 | C6 | 125.7° | 120.4° |
C2 | C1 | H1 | 119.5° | 119.6° |
C2 | C6 | C7 | 106.1° | 109.9° |
C2 | C6 | N2 | 110.0° | 109.9° |
C2 | C6 | H6 | 111.6° | 109.9° |
C7 | C6 | N2 | 104.3° | 107.2° |
C6 | C7 | C8 | 109.1° | 103.1° |
C7 | C6 | H6 | 111.9° | 109.9° |
C6 | C7 | H72 | 109.6° | 110.7° |
C6 | C7 | H71 | 109.5° | 110.7° |
C6 | N2 | C10 | 107.3° | 111.0° |
C6 | N2 | C9 | 113.5° | 108.6° |
N2 | C6 | H6 | 112.6° | 110.0° |
C7 | C8 | C9 | 108.0° | 101.6° |
C8 | C7 | H72 | 109.5° | 110.7° |
C8 | C7 | H71 | 109.6° | 110.7° |
C7 | C8 | H81 | 109.8° | 111.0° |
C7 | C8 | H82 | 109.8° | 111.0° |
C10 | N2 | C9 | 105.7° | 111.0° |
N2 | C10 | H103 | 109.5° | 109.5° |
N2 | C10 | H102 | 109.5° | 109.5° |
N2 | C10 | H101 | 109.5° | 109.5° |
N2 | C9 | C8 | 101.5° | 104.8° |
N2 | C9 | H91 | 111.4° | 110.4° |
N2 | C9 | H92 | 111.4° | 110.5° |
C9 | C8 | H81 | 109.9° | 111.0° |
C9 | C8 | H82 | 109.9° | 111.0° |
C8 | C9 | H91 | 111.5° | 110.3° |
C8 | C9 | H92 | 111.4° | 110.4° |
H72 | C7 | H71 | 109.5° | 110.7° |
H81 | C8 | H82 | 109.5° | 110.9° |
H91 | C9 | H92 | 109.4° | 110.3° |
H103 | C10 | H102 | 109.5° | 109.5° |
H103 | C10 | H101 | 109.5° | 109.4° |
H102 | C10 | H101 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F13 | C4 | C5 | C3 | 179.3° | 179.8° |
F13 | C4 | C5 | N1 | 179.6° | 179.7° |
F13 | C4 | C3 | C2 | 179.6° | 180.0° |
F13 | C4 | C3 | H3 | 0.4° | 0.0° |
F13 | C4 | C5 | H5 | 0.4° | 0.0° |
C4 | C5 | N1 | H5 | 180.0° | 179.8° |
C5 | C4 | C3 | C2 | 1.1° | 0.2° |
C4 | C5 | N1 | C1 | 0.6° | 0.5° |
C5 | C4 | C3 | H3 | 178.9° | 179.8° |
C3 | C4 | C5 | N1 | 1.2° | 0.5° |
C4 | C3 | C2 | H3 | 180.0° | 180.0° |
C4 | C3 | C2 | C1 | 0.5° | 0.0° |
C4 | C3 | C2 | C6 | 179.9° | 180.0° |
C3 | C4 | C5 | H5 | 178.8° | 179.7° |
C5 | N1 | C1 | C2 | 0.1° | 0.3° |
C5 | N1 | C1 | H1 | 179.9° | 179.7° |
C3 | C2 | C1 | N1 | 0.0° | 0.0° |
C3 | C2 | C1 | C6 | 179.5° | 180.0° |
C3 | C2 | C6 | C7 | 116.0° | 100.0° |
C3 | C2 | C6 | N2 | 131.7° | 142.2° |
C3 | C2 | C1 | H1 | 180.0° | 180.0° |
C3 | C2 | C6 | H6 | 6.1° | 21.0° |
N1 | C1 | C2 | H1 | 180.0° | 180.0° |
N1 | C1 | C2 | C6 | 179.5° | 180.0° |
C1 | N1 | C5 | H5 | 179.4° | 179.7° |
C1 | C2 | C6 | C7 | 63.5° | 80.0° |
C1 | C2 | C6 | N2 | 48.7° | 37.8° |
C1 | C2 | C3 | H3 | 179.5° | 180.0° |
C1 | C2 | C6 | H6 | 174.4° | 159.0° |
C2 | C6 | C7 | N2 | 116.1° | 119.4° |
C2 | C6 | C7 | H6 | 121.9° | 121.1° |
C2 | C6 | N2 | H6 | 125.1° | 121.1° |
C2 | C6 | C7 | C8 | 117.0° | 141.7° |
C2 | C6 | N2 | C10 | 117.2° | 119.3° |
C2 | C6 | N2 | C9 | 126.4° | 118.4° |
C6 | C2 | C3 | H3 | 0.1° | 0.0° |
C6 | C2 | C1 | H1 | 0.5° | 0.0° |
C2 | C6 | C7 | H72 | 2.9° | 23.2° |
C2 | C6 | C7 | H71 | 123.0° | 99.9° |
C7 | C6 | N2 | H6 | 121.5° | 119.5° |
C6 | C7 | C8 | H72 | 120.0° | 118.4° |
C6 | C7 | C8 | H71 | 119.9° | 118.4° |
C7 | C6 | N2 | C10 | 129.4° | 121.3° |
C7 | C6 | N2 | C9 | 13.0° | 1.0° |
C6 | C7 | C8 | C9 | 10.9° | 35.6° |
C6 | C7 | H72 | H71 | 120.1° | 123.2° |
C6 | C7 | C8 | H81 | 108.9° | 153.7° |
C6 | C7 | C8 | H82 | 130.7° | 82.4° |
N2 | C6 | C7 | C8 | 0.9° | 22.3° |
C6 | N2 | C10 | C9 | 121.4° | 120.9° |
C6 | N2 | C9 | C8 | 19.2° | 24.1° |
N2 | C6 | C7 | H72 | 119.0° | 96.2° |
N2 | C6 | C7 | H71 | 120.9° | 140.7° |
C6 | N2 | C9 | H91 | 99.5° | 94.7° |
C6 | N2 | C9 | H92 | 137.9° | 143.0° |
C6 | N2 | C10 | H103 | 180.0° | 60.0° |
C6 | N2 | C10 | H102 | 60.0° | 180.0° |
C6 | N2 | C10 | H101 | 60.0° | 60.0° |
C7 | C8 | C9 | N2 | 17.4° | 37.1° |
C7 | C8 | C9 | H81 | 119.8° | 118.1° |
C7 | C8 | C9 | H82 | 119.8° | 118.1° |
C8 | C7 | C6 | H6 | 121.0° | 97.2° |
C8 | C7 | H72 | H71 | 120.2° | 123.2° |
C7 | C8 | H81 | H82 | 120.7° | 123.9° |
C7 | C8 | C9 | H91 | 101.3° | 81.8° |
C7 | C8 | C9 | H92 | 136.1° | 156.0° |
C10 | N2 | C9 | C8 | 136.5° | 98.2° |
C10 | N2 | C6 | H6 | 7.9° | 1.8° |
C10 | N2 | C9 | H91 | 17.8° | 143.0° |
C10 | N2 | C9 | H92 | 104.8° | 20.7° |
N2 | C10 | H103 | H102 | 120.0° | 120.0° |
N2 | C10 | H103 | H101 | 120.0° | 120.0° |
N2 | C10 | H102 | H101 | 120.0° | 120.0° |
N2 | C9 | C8 | H91 | 118.7° | 118.8° |
N2 | C9 | C8 | H92 | 118.7° | 119.0° |
C9 | N2 | C6 | H6 | 108.4° | 120.5° |
N2 | C9 | C8 | H81 | 102.4° | 155.2° |
N2 | C9 | C8 | H82 | 137.2° | 81.0° |
N2 | C9 | H91 | H92 | 123.7° | 122.4° |
C9 | N2 | C10 | H103 | 58.6° | 179.2° |
C9 | N2 | C10 | H102 | 61.4° | 59.1° |
C9 | N2 | C10 | H101 | 178.6° | 60.9° |
C9 | C8 | C7 | H72 | 130.9° | 82.8° |
C9 | C8 | C7 | H71 | 109.0° | 154.1° |
C9 | C8 | H81 | H82 | 120.7° | 123.9° |
C8 | C9 | H91 | H92 | 123.7° | 122.2° |
H6 | C6 | C7 | H72 | 119.0° | 144.3° |
H6 | C6 | C7 | H71 | 1.1° | 21.2° |
H72 | C7 | C8 | H81 | 11.1° | 35.3° |
H72 | C7 | C8 | H82 | 109.4° | 159.2° |
H71 | C7 | C8 | H81 | 131.2° | 87.8° |
H71 | C7 | C8 | H82 | 10.8° | 36.0° |
H81 | C8 | C9 | H91 | 138.9° | 36.3° |
H81 | C8 | C9 | H92 | 16.3° | 85.9° |
H82 | C8 | C9 | H91 | 18.5° | 160.2° |
H82 | C8 | C9 | H92 | 104.1° | 38.0° |
H103 | C10 | H102 | H101 | 120.0° | 120.0° |