C3F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | doub | 1.22Å | 1.29Å | |
C4 | N3 | sing | 1.35Å | 1.35Å | |
C4 | C4A | sing | 1.48Å | 1.41Å | |
N3 | C2 | sing | 1.34Å | 1.37Å | |
C2 | O2 | doub | 1.22Å | 1.29Å | |
C2 | N1 | sing | 1.33Å | 1.35Å | |
N1 | C10 | doub | 1.32Å | 1.37Å | |
C4A | C10 | sing | 1.47Å | 1.41Å | |
C4A | N5 | doub | 1.31Å | 1.33Å | |
C10 | N10 | sing | 1.36Å | 1.35Å | |
N5 | C5A | sing | 1.34Å | 1.39Å | |
C5A | C6 | sing | 1.41Å | 1.43Å | Aromatic |
C5A | C9A | doub | 1.41Å | 1.40Å | Aromatic |
C6 | C7 | doub | 1.36Å | 1.43Å | Aromatic |
C7 | C7M | sing | 1.51Å | 1.52Å | |
C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
C8 | C8M | sing | 1.51Å | 1.51Å | |
C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
C9 | C9A | sing | 1.39Å | 1.47Å | Aromatic |
C9A | N10 | sing | 1.38Å | 1.38Å | |
N10 | C1' | sing | 1.46Å | 1.49Å | |
C1' | C2' | sing | 1.53Å | 1.50Å | |
C2' | C3' | sing | 1.53Å | 1.53Å | |
C3' | N1' | sing | 1.46Å | 1.47Å | |
C5' | O1' | doub | 1.22Å | 1.46Å | |
C5' | O2' | sing | 1.35Å | 1.25Å | |
C5' | N1' | sing | 1.35Å | 1.38Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7M | H7M1 | sing | 1.09Å | 1.10Å | |
C7M | H7M2 | sing | 1.09Å | 1.10Å | |
C7M | H7M3 | sing | 1.09Å | 1.10Å | |
C8M | H8M1 | sing | 1.09Å | 1.10Å | |
C8M | H8M2 | sing | 1.09Å | 1.10Å | |
C8M | H8M3 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C1' | H1'1 | sing | 1.09Å | 1.10Å | |
C1' | H1'2 | sing | 1.09Å | 1.10Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C3' | H3'1 | sing | 1.09Å | 1.10Å | |
C3' | H3'2 | sing | 1.09Å | 1.10Å | |
N1' | H1' | sing | 0.97Å | 1.00Å | |
H2' | O2' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | N3 | 117.4° | 121.4° |
O4 | C4 | C4A | 127.0° | 121.4° |
N3 | C4 | C4A | 115.6° | 117.1° |
C4 | N3 | C2 | 127.8° | 121.3° |
C4 | N3 | H3 | 116.1° | 119.4° |
C4 | C4A | C10 | 116.8° | 117.2° |
C4 | C4A | N5 | 120.2° | 122.2° |
N3 | C2 | O2 | 125.9° | 118.0° |
N3 | C2 | N1 | 117.1° | 124.0° |
C2 | N3 | H3 | 116.1° | 119.3° |
O2 | C2 | N1 | 117.0° | 118.0° |
C2 | N1 | C10 | 118.8° | 121.6° |
N1 | C10 | C4A | 123.9° | 118.7° |
N1 | C10 | N10 | 117.2° | 122.3° |
C10 | C4A | N5 | 123.0° | 120.5° |
C4A | C10 | N10 | 118.9° | 119.0° |
C4A | N5 | C5A | 119.0° | 120.7° |
C10 | N10 | C9A | 119.0° | 118.5° |
C10 | N10 | C1' | 115.6° | 120.8° |
N5 | C5A | C6 | 120.4° | 119.8° |
N5 | C5A | C9A | 118.7° | 121.0° |
C6 | C5A | C9A | 120.9° | 119.3° |
C5A | C6 | C7 | 123.2° | 119.9° |
C5A | C6 | H6 | 118.4° | 120.1° |
C5A | C9A | C9 | 117.1° | 119.5° |
C5A | C9A | N10 | 121.4° | 120.3° |
C6 | C7 | C7M | 115.0° | 119.6° |
C6 | C7 | C8 | 114.8° | 120.7° |
C7 | C6 | H6 | 118.4° | 120.0° |
C7M | C7 | C8 | 130.1° | 119.7° |
C7 | C7M | H7M1 | 109.5° | 109.5° |
C7 | C7M | H7M2 | 109.5° | 109.5° |
C7 | C7M | H7M3 | 109.5° | 109.4° |
C7 | C8 | C8M | 114.7° | 119.6° |
C7 | C8 | C9 | 124.6° | 120.6° |
C8M | C8 | C9 | 120.7° | 119.7° |
C8 | C8M | H8M1 | 109.5° | 109.4° |
C8 | C8M | H8M2 | 109.4° | 109.5° |
C8 | C8M | H8M3 | 109.5° | 109.5° |
C8 | C9 | C9A | 119.2° | 119.9° |
C8 | C9 | H9 | 120.4° | 120.0° |
C9 | C9A | N10 | 121.5° | 120.1° |
C9A | C9 | H9 | 120.4° | 120.1° |
C9A | N10 | C1' | 125.2° | 120.7° |
N10 | C1' | C2' | 120.5° | 109.5° |
N10 | C1' | H1'1 | 106.6° | 109.5° |
N10 | C1' | H1'2 | 106.6° | 109.5° |
C1' | C2' | C3' | 102.7° | 109.5° |
C2' | C1' | H1'1 | 106.6° | 109.5° |
C2' | C1' | H1'2 | 106.7° | 109.4° |
C1' | C2' | H2'1 | 111.1° | 109.5° |
C1' | C2' | H2'2 | 111.1° | 109.5° |
C2' | C3' | N1' | 109.7° | 109.5° |
C3' | C2' | H2'1 | 111.1° | 109.4° |
C3' | C2' | H2'2 | 111.1° | 109.4° |
C2' | C3' | H3'1 | 109.4° | 109.4° |
C2' | C3' | H3'2 | 109.4° | 109.4° |
C3' | N1' | C5' | 131.4° | 120.0° |
N1' | C3' | H3'1 | 109.4° | 109.5° |
N1' | C3' | H3'2 | 109.4° | 109.5° |
C3' | N1' | H1' | 114.3° | 120.0° |
O1' | C5' | O2' | 118.4° | 120.0° |
O1' | C5' | N1' | 116.1° | 120.0° |
O2' | C5' | N1' | 125.4° | 120.0° |
C5' | O2' | H2' | 109.5° | 117.0° |
C5' | N1' | H1' | 114.3° | 120.0° |
H7M1 | C7M | H7M2 | 109.5° | 109.5° |
H7M1 | C7M | H7M3 | 109.5° | 109.5° |
H7M2 | C7M | H7M3 | 109.4° | 109.5° |
H8M1 | C8M | H8M2 | 109.5° | 109.5° |
H8M1 | C8M | H8M3 | 109.4° | 109.5° |
H8M2 | C8M | H8M3 | 109.5° | 109.4° |
H1'1 | C1' | H1'2 | 109.4° | 109.4° |
H2'1 | C2' | H2'2 | 109.5° | 109.5° |
H3'1 | C3' | H3'2 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | N3 | C4A | 179.9° | 179.7° |
O4 | C4 | N3 | C2 | 178.7° | 180.0° |
O4 | C4 | C4A | C10 | 179.9° | 179.7° |
O4 | C4 | C4A | N5 | 0.6° | 0.0° |
O4 | C4 | N3 | H3 | 1.3° | 0.0° |
C4 | N3 | C2 | H3 | 180.0° | 179.9° |
C4 | N3 | C2 | O2 | 177.9° | 180.0° |
C4 | N3 | C2 | N1 | 2.3° | 0.0° |
N3 | C4 | C4A | C10 | 0.1° | 0.6° |
N3 | C4 | C4A | N5 | 179.3° | 179.7° |
C4A | C4 | N3 | C2 | 1.4° | 0.3° |
C4 | C4A | C10 | N1 | 0.6° | 0.5° |
C4 | C4A | C10 | N5 | 179.3° | 179.8° |
C4 | C4A | C10 | N10 | 178.3° | 179.8° |
C4 | C4A | N5 | C5A | 179.2° | 179.9° |
C4A | C4 | N3 | H3 | 178.6° | 179.8° |
N3 | C2 | O2 | N1 | 179.8° | 180.0° |
N3 | C2 | N1 | C10 | 1.5° | 0.0° |
O2 | C2 | N1 | C10 | 178.6° | 180.0° |
O2 | C2 | N3 | H3 | 2.1° | 0.0° |
C2 | N1 | C10 | C4A | 0.2° | 0.3° |
C2 | N1 | C10 | N10 | 179.2° | 179.9° |
N1 | C2 | N3 | H3 | 177.8° | 179.9° |
N1 | C10 | C4A | N10 | 178.9° | 179.7° |
N1 | C10 | C4A | N5 | 179.8° | 179.7° |
N1 | C10 | N10 | C9A | 179.4° | 179.1° |
N1 | C10 | N10 | C1' | 4.6° | 0.1° |
C10 | C4A | N5 | C5A | 0.1° | 0.3° |
C4A | C10 | N10 | C9A | 1.6° | 0.5° |
C4A | C10 | N10 | C1' | 176.4° | 179.8° |
N5 | C4A | C10 | N10 | 0.9° | 0.0° |
C4A | N5 | C5A | C6 | 179.6° | 180.0° |
C4A | N5 | C5A | C9A | 0.0° | 0.1° |
C10 | N10 | C9A | C5A | 1.6° | 0.8° |
C10 | N10 | C9A | C9 | 178.3° | 179.8° |
C10 | N10 | C9A | C1' | 174.2° | 179.2° |
C10 | N10 | C1' | C2' | 91.6° | 90.0° |
C10 | N10 | C1' | H1'1 | 30.0° | 149.9° |
C10 | N10 | C1' | H1'2 | 146.8° | 29.9° |
N5 | C5A | C6 | C9A | 179.6° | 179.9° |
N5 | C5A | C6 | C7 | 177.4° | 180.0° |
N5 | C5A | C9A | C9 | 179.1° | 180.0° |
N5 | C5A | C9A | N10 | 0.8° | 0.5° |
N5 | C5A | C6 | H6 | 2.6° | 0.0° |
C5A | C6 | C7 | H6 | 180.0° | 180.0° |
C5A | C6 | C7 | C7M | 177.8° | 180.0° |
C5A | C6 | C7 | C8 | 5.2° | 0.0° |
C6 | C5A | C9A | C9 | 0.5° | 0.0° |
C6 | C5A | C9A | N10 | 179.6° | 179.4° |
C9A | C5A | C6 | C7 | 3.0° | 0.0° |
C5A | C9A | C9 | C8 | 1.5° | 0.0° |
C5A | C9A | C9 | N10 | 179.9° | 179.5° |
C5A | C9A | N10 | C1' | 175.8° | 180.0° |
C9A | C5A | C6 | H6 | 177.0° | 180.0° |
C5A | C9A | C9 | H9 | 178.5° | 180.0° |
C6 | C7 | C7M | C8 | 176.5° | 180.0° |
C6 | C7 | C8 | C8M | 178.7° | 180.0° |
C6 | C7 | C8 | C9 | 4.1° | 0.0° |
C6 | C7 | C7M | H7M1 | 91.2° | 90.0° |
C6 | C7 | C7M | H7M2 | 148.7° | 150.0° |
C6 | C7 | C7M | H7M3 | 28.8° | 30.0° |
C7M | C7 | C8 | C8M | 2.1° | 0.0° |
C7M | C7 | C8 | C9 | 179.3° | 180.0° |
C7M | C7 | C6 | H6 | 2.3° | 0.0° |
C7 | C7M | H7M1 | H7M2 | 120.0° | 120.0° |
C7 | C7M | H7M1 | H7M3 | 120.0° | 120.0° |
C7 | C7M | H7M2 | H7M3 | 120.0° | 120.0° |
C7 | C8 | C8M | C9 | 177.3° | 180.0° |
C7 | C8 | C9 | C9A | 0.9° | 0.0° |
C8 | C7 | C6 | H6 | 174.8° | 180.0° |
C8 | C7 | C7M | H7M1 | 92.2° | 90.0° |
C8 | C7 | C7M | H7M2 | 27.8° | 30.0° |
C8 | C7 | C7M | H7M3 | 147.7° | 150.1° |
C7 | C8 | C8M | H8M1 | 88.8° | 90.0° |
C7 | C8 | C8M | H8M2 | 151.2° | 150.0° |
C7 | C8 | C8M | H8M3 | 31.1° | 30.0° |
C7 | C8 | C9 | H9 | 179.0° | 180.0° |
C8M | C8 | C9 | C9A | 178.0° | 180.0° |
C8 | C8M | H8M1 | H8M2 | 120.0° | 120.0° |
C8 | C8M | H8M1 | H8M3 | 120.0° | 120.0° |
C8 | C8M | H8M2 | H8M3 | 120.0° | 120.0° |
C8M | C8 | C9 | H9 | 2.0° | 0.0° |
C8 | C9 | C9A | H9 | 180.0° | 180.0° |
C8 | C9 | C9A | N10 | 178.6° | 179.5° |
C9 | C8 | C8M | H8M1 | 88.5° | 90.0° |
C9 | C8 | C8M | H8M2 | 31.5° | 30.0° |
C9 | C8 | C8M | H8M3 | 151.5° | 150.0° |
C9 | C9A | N10 | C1' | 4.1° | 0.5° |
C9A | N10 | C1' | C2' | 94.0° | 89.2° |
N10 | C9A | C9 | H9 | 1.4° | 0.5° |
C9A | N10 | C1' | H1'1 | 144.4° | 30.9° |
C9A | N10 | C1' | H1'2 | 27.5° | 150.9° |
N10 | C1' | C2' | H1'1 | 121.6° | 120.1° |
N10 | C1' | C2' | H1'2 | 121.6° | 120.0° |
N10 | C1' | C2' | C3' | 175.2° | 180.0° |
N10 | C1' | H1'1 | H1'2 | 115.0° | 120.0° |
N10 | C1' | C2' | H2'1 | 56.2° | 60.0° |
N10 | C1' | C2' | H2'2 | 65.9° | 60.1° |
C1' | C2' | C3' | H2'1 | 118.9° | 120.0° |
C1' | C2' | C3' | H2'2 | 118.9° | 119.9° |
C1' | C2' | C3' | N1' | 156.2° | 180.0° |
C2' | C1' | H1'1 | H1'2 | 115.0° | 120.0° |
C1' | C2' | H2'1 | H2'2 | 123.1° | 120.0° |
C1' | C2' | C3' | H3'1 | 83.7° | 60.0° |
C1' | C2' | C3' | H3'2 | 36.2° | 60.0° |
C2' | C3' | N1' | H3'1 | 120.0° | 120.0° |
C2' | C3' | N1' | H3'2 | 120.0° | 120.0° |
C2' | C3' | N1' | C5' | 70.9° | 180.0° |
C3' | C2' | C1' | H1'1 | 63.3° | 59.9° |
C3' | C2' | C1' | H1'2 | 53.6° | 60.0° |
C3' | C2' | H2'1 | H2'2 | 123.2° | 120.0° |
C2' | C3' | H3'1 | H3'2 | 119.9° | 119.9° |
C2' | C3' | N1' | H1' | 109.1° | 0.0° |
C3' | N1' | C5' | O1' | 179.8° | 0.0° |
C3' | N1' | C5' | O2' | 3.3° | 180.0° |
C3' | N1' | C5' | H1' | 180.0° | 179.9° |
N1' | C3' | C2' | H2'1 | 37.3° | 60.0° |
N1' | C3' | C2' | H2'2 | 84.9° | 60.0° |
N1' | C3' | H3'1 | H3'2 | 119.9° | 120.1° |
O1' | C5' | O2' | N1' | 176.8° | 180.0° |
O1' | C5' | N1' | H1' | 0.2° | 180.0° |
O1' | C5' | O2' | H2' | 0.0° | 0.0° |
O2' | C5' | N1' | H1' | 176.7° | 0.1° |
C5' | N1' | C3' | H3'1 | 169.1° | 60.1° |
C5' | N1' | C3' | H3'2 | 49.2° | 60.0° |
N1' | C5' | O2' | H2' | 176.8° | 180.0° |
H7M1 | C7M | H7M2 | H7M3 | 120.0° | 120.0° |
H8M1 | C8M | H8M2 | H8M3 | 120.0° | 120.0° |
H1'1 | C1' | C2' | H2'1 | 177.8° | 179.9° |
H1'1 | C1' | C2' | H2'2 | 55.6° | 60.0° |
H1'2 | C1' | C2' | H2'1 | 65.3° | 60.0° |
H1'2 | C1' | C2' | H2'2 | 172.5° | 179.9° |
H2'1 | C2' | C3' | H3'1 | 157.3° | 180.0° |
H2'1 | C2' | C3' | H3'2 | 82.7° | 60.0° |
H2'2 | C2' | C3' | H3'1 | 35.1° | 60.0° |
H2'2 | C2' | C3' | H3'2 | 155.1° | 180.0° |
H3'1 | C3' | N1' | H1' | 10.9° | 120.0° |
H3'2 | C3' | N1' | H1' | 130.8° | 119.9° |