ETN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C | sing | 1.47Å | 1.17Å | |
N | C1 | sing | 1.47Å | 1.46Å | |
N | HN | sing | 1.01Å | 1.02Å | |
C | H1 | sing | 1.09Å | 1.12Å | |
C | H2 | sing | 1.09Å | 1.12Å | |
C | H3 | sing | 1.09Å | 1.11Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C2 | H23 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | N | C1 | 125.3° | 106.7° |
C | N | HN | 106.6° | 106.7° |
N | C | H1 | 125.4° | 109.5° |
N | C | H2 | 106.6° | 109.5° |
N | C | H3 | 106.7° | 109.5° |
C1 | N | HN | 106.6° | 106.8° |
N | C1 | C2 | 109.1° | 109.5° |
N | C1 | H11 | 112.3° | 109.5° |
N | C1 | H12 | 112.4° | 109.4° |
H1 | C | H2 | 106.5° | 109.4° |
H1 | C | H3 | 106.6° | 109.5° |
H2 | C | H3 | 102.9° | 109.4° |
C2 | C1 | H11 | 112.3° | 109.5° |
C2 | C1 | H12 | 112.3° | 109.4° |
C1 | C2 | H21 | 109.1° | 109.5° |
C1 | C2 | H22 | 112.4° | 109.4° |
C1 | C2 | H23 | 112.4° | 109.5° |
H11 | C1 | H12 | 98.1° | 109.4° |
H21 | C2 | H22 | 112.3° | 109.4° |
H21 | C2 | H23 | 112.3° | 109.5° |
H22 | C2 | H23 | 98.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | C1 | HN | 125.2° | 113.9° |
N | C | H1 | H2 | 125.2° | 120.0° |
N | C | H1 | H3 | 125.3° | 120.1° |
N | C | H2 | H3 | 112.1° | 120.0° |
C | N | C1 | C2 | 65.8° | 180.0° |
C | N | C1 | H11 | 169.0° | 59.9° |
C | N | C1 | H12 | 59.5° | 60.0° |
C1 | N | C | H1 | 180.0° | 179.9° |
C1 | N | C | H2 | 54.8° | 59.9° |
C1 | N | C | H3 | 54.7° | 60.0° |
N | C1 | C2 | H11 | 125.2° | 120.1° |
N | C1 | C2 | H12 | 125.3° | 119.9° |
N | C1 | H11 | H12 | 118.3° | 119.9° |
N | C1 | C2 | H21 | 180.0° | 180.0° |
N | C1 | C2 | H22 | 54.7° | 60.1° |
N | C1 | C2 | H23 | 54.7° | 59.9° |
HN | N | C | H1 | 54.8° | 66.2° |
HN | N | C | H2 | 180.0° | 173.8° |
HN | N | C | H3 | 70.6° | 53.9° |
HN | N | C1 | C2 | 169.0° | 66.1° |
HN | N | C1 | H11 | 43.8° | 173.8° |
HN | N | C1 | H12 | 65.7° | 53.8° |
H1 | C | H2 | H3 | 112.0° | 120.0° |
C2 | C1 | H11 | H12 | 118.3° | 120.0° |
C1 | C2 | H21 | H22 | 125.3° | 119.9° |
C1 | C2 | H21 | H23 | 125.3° | 120.1° |
C1 | C2 | H22 | H23 | 118.3° | 120.0° |
H11 | C1 | C2 | H21 | 54.8° | 59.9° |
H11 | C1 | C2 | H22 | 180.0° | 60.0° |
H11 | C1 | C2 | H23 | 70.5° | NaN° |
H12 | C1 | C2 | H21 | 54.7° | 60.1° |
H12 | C1 | C2 | H22 | 70.5° | 180.0° |
H12 | C1 | C2 | H23 | 180.0° | 60.0° |
H21 | C2 | H22 | H23 | 118.2° | 120.0° |