Q3F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2 | C2 | sing | 1.41Å | 1.40Å | |
C1 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
C1 | N | sing | 1.36Å | 1.34Å | Aromatic |
C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
N | C | sing | 1.47Å | 1.46Å | |
N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
C3 | N1 | doub | 1.31Å | 1.33Å | Aromatic |
C | H1 | sing | 1.09Å | 1.10Å | |
C | H2 | sing | 1.09Å | 1.10Å | |
C | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.08Å | 1.08Å | |
C3 | H5 | sing | 1.08Å | 1.08Å | |
N2 | H6 | sing | 0.97Å | 1.00Å | |
N2 | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C2 | C1 | 127.0° | 126.1° |
N2 | C2 | C3 | 128.3° | 126.0° |
C2 | N2 | H6 | 109.5° | 120.0° |
C2 | N2 | H7 | 109.5° | 120.0° |
C2 | C1 | N | 107.0° | 107.6° |
C1 | C2 | C3 | 104.6° | 107.9° |
C2 | C1 | H4 | 126.5° | 126.2° |
C1 | N | C | 127.7° | 126.1° |
C1 | N | N1 | 112.2° | 107.9° |
N | C1 | H4 | 126.5° | 126.3° |
C2 | C3 | N1 | 111.8° | 108.3° |
C2 | C3 | H5 | 124.1° | 125.9° |
C | N | N1 | 120.0° | 126.1° |
N | C | H1 | 109.5° | 109.4° |
N | C | H2 | 109.5° | 109.4° |
N | C | H3 | 109.5° | 109.5° |
N | N1 | C3 | 104.3° | 108.4° |
N1 | C3 | H5 | 124.1° | 125.8° |
H1 | C | H2 | 109.4° | 109.4° |
H1 | C | H3 | 109.5° | 109.5° |
H2 | C | H3 | 109.5° | 109.5° |
H6 | N2 | H7 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C2 | C1 | C3 | 177.7° | 180.0° |
N2 | C2 | C1 | N | 176.3° | 180.0° |
N2 | C2 | C3 | N1 | 177.0° | 179.7° |
N2 | C2 | C1 | H4 | 3.7° | 0.0° |
N2 | C2 | C3 | H5 | 3.1° | 0.1° |
C2 | N2 | H6 | H7 | 120.0° | 180.0° |
C2 | C1 | N | H4 | 180.0° | 179.9° |
C2 | C1 | N | C | 175.1° | 180.0° |
C2 | C1 | N | N1 | 1.8° | 0.3° |
C1 | C2 | C3 | N1 | 0.7° | 0.3° |
C1 | C2 | C3 | H5 | 179.3° | 180.0° |
C1 | C2 | N2 | H6 | 180.0° | 0.0° |
C1 | C2 | N2 | H7 | 60.0° | 180.0° |
N | C1 | C2 | C3 | 1.4° | 0.0° |
C1 | N | C | N1 | 176.7° | 179.7° |
C1 | N | N1 | C3 | 1.3° | 0.5° |
C1 | N | C | H1 | 176.7° | 89.7° |
C1 | N | C | H2 | 56.7° | 30.3° |
C1 | N | C | H3 | 63.3° | 150.3° |
C2 | C3 | N1 | N | 0.3° | 0.5° |
C2 | C3 | N1 | H5 | 180.0° | 179.7° |
C3 | C2 | C1 | H4 | 178.6° | 179.9° |
C3 | C2 | N2 | H6 | 2.8° | 179.9° |
C3 | C2 | N2 | H7 | 122.8° | 0.0° |
C | N | N1 | C3 | 175.9° | 179.8° |
N | C | H1 | H2 | 120.0° | 119.9° |
N | C | H1 | H3 | 120.0° | 120.0° |
N | C | H2 | H3 | 120.0° | 120.0° |
C | N | C1 | H4 | 4.9° | 0.1° |
N1 | N | C | H1 | 0.0° | 90.0° |
N1 | N | C | H2 | 120.0° | 150.1° |
N1 | N | C | H3 | 120.0° | 30.0° |
N1 | N | C1 | H4 | 178.2° | 179.8° |
N | N1 | C3 | H5 | 179.7° | 179.9° |
H1 | C | H2 | H3 | 120.0° | 120.1° |