5FN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F1 | C5 | sing | 1.40Å | 1.33Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C5 | O23 | sing | 1.42Å | 1.45Å | |
C6 | O24 | sing | 1.43Å | 1.45Å | |
C4 | O22 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.52Å | 1.54Å | |
C3 | O21 | sing | 1.43Å | 1.44Å | |
C3 | C2 | sing | 1.52Å | 1.53Å | |
O23 | C1 | sing | 1.40Å | 1.44Å | |
C1 | O1 | sing | 1.44Å | 1.45Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
O1 | C7 | sing | 1.35Å | 1.44Å | |
C7 | C9 | sing | 1.51Å | 1.51Å | |
C7 | N1 | doub | 1.29Å | 1.33Å | |
N1 | C2 | sing | 1.49Å | 1.46Å | |
C6 | H61C | sing | 1.09Å | 1.10Å | |
C6 | H62C | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O24 | H24 | sing | 0.97Å | 0.95Å | |
O22 | H22 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O21 | H21 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C9 | H91C | sing | 1.09Å | 1.10Å | |
C9 | H92C | sing | 1.09Å | 1.10Å | |
C9 | H93C | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F1 | C5 | C6 | 109.1° | 109.7° |
F1 | C5 | C4 | 108.1° | 109.7° |
F1 | C5 | O23 | 108.4° | 109.7° |
C6 | C5 | C4 | 112.7° | 109.7° |
C6 | C5 | O23 | 109.2° | 109.8° |
C5 | C6 | O24 | 111.4° | 109.4° |
C5 | C6 | H61C | 108.8° | 109.5° |
C5 | C6 | H62C | 108.4° | 109.5° |
C4 | C5 | O23 | 109.4° | 108.2° |
C5 | C4 | O22 | 107.0° | 109.6° |
C5 | C4 | C3 | 108.6° | 108.4° |
C5 | C4 | H4 | 112.6° | 109.7° |
C5 | O23 | C1 | 119.6° | 117.9° |
O24 | C6 | H61C | 108.9° | 109.4° |
O24 | C6 | H62C | 108.4° | 109.5° |
C6 | O24 | H24 | 109.5° | 114.0° |
O22 | C4 | C3 | 112.0° | 109.6° |
O22 | C4 | H4 | 109.1° | 109.6° |
C4 | O22 | H22 | 109.5° | 114.0° |
C4 | C3 | O21 | 112.9° | 109.0° |
C4 | C3 | C2 | 111.8° | 111.9° |
C3 | C4 | H4 | 107.6° | 109.8° |
C4 | C3 | H3 | 105.2° | 109.0° |
O21 | C3 | C2 | 108.9° | 109.0° |
O21 | C3 | H3 | 108.3° | 108.9° |
C3 | O21 | H21 | 109.5° | 114.0° |
C3 | C2 | C1 | 112.3° | 113.8° |
C3 | C2 | N1 | 111.3° | 108.3° |
C2 | C3 | H3 | 109.6° | 108.9° |
C3 | C2 | H2 | 103.9° | 110.8° |
O23 | C1 | O1 | 113.2° | 112.4° |
O23 | C1 | C2 | 116.3° | 116.2° |
O23 | C1 | H1 | 100.7° | 109.0° |
O1 | C1 | C2 | 106.1° | 101.9° |
C1 | O1 | C7 | 104.1° | 106.7° |
O1 | C1 | H1 | 112.0° | 108.8° |
C1 | C2 | N1 | 100.5° | 101.2° |
C1 | C2 | H2 | 114.1° | 110.8° |
C2 | C1 | H1 | 108.6° | 108.1° |
O1 | C7 | C9 | 125.4° | 123.0° |
O1 | C7 | N1 | 110.9° | 114.0° |
C9 | C7 | N1 | 123.7° | 123.0° |
C7 | C9 | H91C | 109.5° | 109.5° |
C7 | C9 | H92C | 109.4° | 109.5° |
C7 | C9 | H93C | 109.4° | 109.5° |
C7 | N1 | C2 | 111.0° | 108.2° |
N1 | C2 | H2 | 115.1° | 111.5° |
H61C | C6 | H62C | 111.0° | 109.5° |
H91C | C9 | H92C | 109.5° | 109.5° |
H91C | C9 | H93C | 109.4° | 109.4° |
H92C | C9 | H93C | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F1 | C5 | C6 | C4 | 120.0° | 120.7° |
F1 | C5 | C6 | O23 | 118.3° | 120.6° |
F1 | C5 | C4 | O23 | 117.8° | 119.6° |
F1 | C5 | C6 | O24 | 175.9° | 179.9° |
F1 | C5 | C4 | O22 | 62.3° | 62.9° |
F1 | C5 | C4 | C3 | 58.8° | 56.7° |
F1 | C5 | O23 | C1 | 66.7° | 62.0° |
F1 | C5 | C6 | H61C | 55.9° | 60.0° |
F1 | C5 | C6 | H62C | 64.9° | 60.0° |
F1 | C5 | C4 | H4 | 177.8° | 176.6° |
C6 | C5 | C4 | O23 | 121.6° | 119.7° |
C5 | C6 | O24 | H61C | 120.0° | 120.0° |
C5 | C6 | O24 | H62C | 119.2° | 120.0° |
C6 | C5 | C4 | O22 | 58.3° | 57.7° |
C6 | C5 | C4 | C3 | 179.4° | 177.4° |
C6 | C5 | O23 | C1 | 174.6° | 177.3° |
C5 | C6 | H61C | H62C | 119.2° | 120.0° |
C6 | C5 | C4 | H4 | 61.6° | 62.7° |
C5 | C6 | O24 | H24 | 120.7° | 180.0° |
C4 | C5 | C6 | O24 | 64.1° | 59.4° |
C5 | C4 | O22 | C3 | 118.9° | 118.9° |
C5 | C4 | O22 | H4 | 122.1° | 120.5° |
C5 | C4 | C3 | H4 | 122.1° | 119.8° |
C5 | C4 | C3 | O21 | 177.4° | 176.7° |
C5 | C4 | C3 | C2 | 59.4° | 56.2° |
C4 | C5 | O23 | C1 | 51.0° | 57.6° |
C4 | C5 | C6 | H61C | 175.9° | 179.3° |
C4 | C5 | C6 | H62C | 55.1° | 60.6° |
C5 | C4 | O22 | H22 | 82.8° | 60.0° |
C5 | C4 | C3 | H3 | 59.5° | 64.4° |
O23 | C5 | C6 | O24 | 57.6° | 59.4° |
O23 | C5 | C4 | O22 | 179.9° | 177.5° |
O23 | C5 | C4 | C3 | 59.0° | 62.9° |
C5 | O23 | C1 | O1 | 83.9° | 74.4° |
C5 | O23 | C1 | C2 | 39.3° | 42.5° |
O23 | C5 | C6 | H61C | 62.4° | 60.6° |
O23 | C5 | C6 | H62C | 176.8° | 179.4° |
O23 | C5 | C4 | H4 | 60.0° | 57.0° |
C5 | O23 | C1 | H1 | 156.4° | 164.9° |
O24 | C6 | H61C | H62C | 119.2° | 120.0° |
O22 | C4 | C3 | H4 | 119.9° | 120.5° |
O22 | C4 | C3 | O21 | 59.5° | 63.6° |
O22 | C4 | C3 | C2 | 177.3° | 175.8° |
O22 | C4 | C3 | H3 | 58.5° | 55.3° |
C4 | C3 | O21 | C2 | 124.8° | 122.4° |
C4 | C3 | O21 | H3 | 116.1° | 118.9° |
C4 | C3 | C2 | H3 | 116.2° | 120.6° |
C4 | C3 | C2 | C1 | 46.7° | 40.7° |
C4 | C3 | C2 | N1 | 158.5° | 152.4° |
C3 | C4 | O22 | H22 | 36.1° | 179.0° |
C4 | C3 | O21 | H21 | 17.4° | 60.0° |
C4 | C3 | C2 | H2 | 77.1° | 85.0° |
O21 | C3 | C2 | H3 | 118.3° | 118.7° |
O21 | C3 | C2 | C1 | 172.2° | 161.3° |
O21 | C3 | C2 | N1 | 76.1° | 87.0° |
O21 | C3 | C4 | H4 | 60.5° | 56.9° |
O21 | C3 | C2 | H2 | 48.3° | 35.6° |
C3 | C2 | C1 | O23 | 35.5° | 32.4° |
C3 | C2 | C1 | O1 | 91.3° | 90.2° |
C3 | C2 | C1 | N1 | 118.3° | 115.9° |
C3 | C2 | C1 | H2 | 117.9° | 125.7° |
C3 | C2 | N1 | C7 | 99.2° | 103.2° |
C3 | C2 | N1 | H2 | 117.8° | 122.2° |
C2 | C3 | C4 | H4 | 62.7° | 63.7° |
C2 | C3 | O21 | H21 | 142.2° | 177.6° |
C3 | C2 | C1 | H1 | 148.2° | 155.2° |
O23 | C1 | O1 | C2 | 128.6° | 125.2° |
O23 | C1 | O1 | H1 | 113.0° | 120.8° |
O23 | C1 | C2 | H1 | 112.7° | 122.8° |
O23 | C1 | O1 | C7 | 153.4° | 152.1° |
O23 | C1 | C2 | N1 | 153.8° | 148.4° |
O23 | C1 | C2 | H2 | 82.4° | 93.3° |
O1 | C1 | C2 | H1 | 120.5° | 114.6° |
C1 | O1 | C7 | C9 | 166.3° | 161.8° |
C1 | O1 | C7 | N1 | 12.8° | 18.1° |
O1 | C1 | C2 | N1 | 27.0° | 25.7° |
O1 | C1 | C2 | H2 | 150.8° | 144.1° |
C2 | C1 | O1 | C7 | 24.8° | 26.9° |
C1 | C2 | N1 | C7 | 19.9° | 16.7° |
C1 | C2 | N1 | H2 | 123.1° | 117.9° |
C1 | C2 | C3 | H3 | 69.5° | 80.0° |
O1 | C7 | C9 | N1 | 178.9° | 179.9° |
O1 | C7 | N1 | C2 | 5.3° | 0.1° |
C7 | O1 | C1 | H1 | 93.6° | 87.1° |
O1 | C7 | C9 | H91C | 76.3° | 0.1° |
O1 | C7 | C9 | H92C | 163.7° | 120.0° |
O1 | C7 | C9 | H93C | 43.7° | 120.1° |
C9 | C7 | N1 | C2 | 175.6° | 180.0° |
C7 | C9 | H91C | H92C | 120.0° | 120.1° |
C7 | C9 | H91C | H93C | 120.0° | 120.0° |
C7 | C9 | H92C | H93C | 120.0° | 120.0° |
C7 | N1 | C2 | H2 | 143.0° | 134.7° |
N1 | C7 | C9 | H91C | 102.6° | 180.0° |
N1 | C7 | C9 | H92C | 17.4° | 59.9° |
N1 | C7 | C9 | H93C | 137.4° | 60.1° |
N1 | C2 | C3 | H3 | 42.3° | 31.7° |
N1 | C2 | C1 | H1 | 93.5° | 88.8° |
H61C | C6 | O24 | H24 | 119.3° | 60.0° |
H62C | C6 | O24 | H24 | 1.5° | 60.0° |
H4 | C4 | O22 | H22 | 155.1° | 60.5° |
H4 | C4 | C3 | H3 | 178.4° | 175.8° |
H3 | C3 | O21 | H21 | 98.7° | 58.9° |
H3 | C3 | C2 | H2 | 166.7° | 154.3° |
H2 | C2 | C1 | H1 | 30.3° | 29.5° |
H91C | C9 | H92C | H93C | 120.0° | 119.9° |