TN7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C1 | O3 | sing | 1.43Å | 1.44Å | |
O3 | P | sing | 1.61Å | 1.53Å | |
P | O2 | doub | 1.48Å | 1.47Å | |
P | N | sing | 1.68Å | 1.80Å | |
P | OXT | sing | 1.61Å | 1.64Å | |
N | C3 | sing | 1.47Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C2 | H21C | sing | 1.09Å | 1.10Å | |
C2 | H22C | sing | 1.09Å | 1.10Å | |
C2 | H23C | sing | 1.09Å | 1.10Å | |
C1 | H11C | sing | 1.09Å | 1.10Å | |
C1 | H12C | sing | 1.09Å | 1.10Å | |
N | HN1 | sing | 1.01Å | 1.00Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
C3 | H31C | sing | 1.09Å | 1.10Å | |
C3 | H32C | sing | 1.09Å | 1.10Å | |
C4 | H41C | sing | 1.09Å | 1.10Å | |
C4 | H42C | sing | 1.09Å | 1.10Å | |
C4 | H43C | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O3 | 109.5° | 109.4° |
C1 | C2 | H21C | 109.5° | 109.4° |
C1 | C2 | H22C | 109.4° | 109.5° |
C1 | C2 | H23C | 109.4° | 109.5° |
C2 | C1 | H11C | 109.4° | 109.4° |
C2 | C1 | H12C | 109.4° | 109.5° |
C1 | O3 | P | 120.0° | 123.0° |
O3 | C1 | H11C | 109.5° | 109.5° |
O3 | C1 | H12C | 109.5° | 109.5° |
O3 | P | O2 | 116.5° | 109.4° |
O3 | P | N | 106.7° | 109.5° |
O3 | P | OXT | 103.0° | 109.5° |
O2 | P | N | 116.4° | 109.5° |
O2 | P | OXT | 109.6° | 109.5° |
N | P | OXT | 103.0° | 109.5° |
P | N | C3 | 109.6° | 111.0° |
P | N | HN1 | 109.4° | 111.0° |
P | OXT | HXT | 109.5° | 114.0° |
N | C3 | C4 | 111.0° | 109.5° |
C3 | N | HN1 | 109.5° | 111.1° |
N | C3 | H31C | 109.0° | 109.5° |
N | C3 | H32C | 108.6° | 109.5° |
C4 | C3 | H31C | 108.9° | 109.4° |
C4 | C3 | H32C | 108.6° | 109.4° |
C3 | C4 | H41C | 109.5° | 109.5° |
C3 | C4 | H42C | 109.5° | 109.5° |
C3 | C4 | H43C | 109.5° | 109.4° |
H21C | C2 | H22C | 109.5° | 109.4° |
H21C | C2 | H23C | 109.5° | 109.5° |
H22C | C2 | H23C | 109.5° | 109.5° |
H11C | C1 | H12C | 109.5° | 109.5° |
H31C | C3 | H32C | 110.7° | 109.5° |
H41C | C4 | H42C | 109.4° | 109.5° |
H41C | C4 | H43C | 109.4° | 109.4° |
H42C | C4 | H43C | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O3 | H11C | 120.0° | 120.0° |
C2 | C1 | O3 | H12C | 120.0° | 120.0° |
C2 | C1 | O3 | P | 92.3° | 180.0° |
C1 | C2 | H21C | H22C | 120.0° | 120.0° |
C1 | C2 | H21C | H23C | 120.0° | 120.0° |
C1 | C2 | H22C | H23C | 120.0° | 120.1° |
C2 | C1 | H11C | H12C | 120.0° | 120.0° |
C1 | O3 | P | O2 | 27.9° | 50.0° |
C1 | O3 | P | N | 104.0° | 70.0° |
C1 | O3 | P | OXT | 147.8° | 170.0° |
O3 | C1 | C2 | H21C | 139.5° | 180.0° |
O3 | C1 | C2 | H22C | 19.4° | 60.0° |
O3 | C1 | C2 | H23C | 100.5° | 60.0° |
O3 | C1 | H11C | H12C | 120.0° | 120.1° |
O3 | P | O2 | N | 127.3° | 120.0° |
O3 | P | O2 | OXT | 116.4° | 120.0° |
O3 | P | N | OXT | 108.1° | 120.0° |
O3 | P | N | C3 | 50.8° | 60.0° |
P | O3 | C1 | H11C | 27.7° | 60.0° |
P | O3 | C1 | H12C | 147.7° | 60.0° |
O3 | P | N | HN1 | 170.9° | 64.0° |
O3 | P | OXT | HXT | 59.1° | 60.0° |
O2 | P | N | OXT | 119.9° | 120.0° |
O2 | P | N | C3 | 81.1° | 180.0° |
O2 | P | N | HN1 | 38.9° | 56.0° |
O2 | P | OXT | HXT | 176.3° | 180.0° |
P | N | C3 | HN1 | 120.0° | 124.0° |
P | N | C3 | C4 | 143.8° | 135.0° |
N | P | OXT | HXT | 51.8° | 60.0° |
P | N | C3 | H31C | 96.2° | 105.0° |
P | N | C3 | H32C | 24.5° | 15.0° |
OXT | P | N | C3 | 159.0° | 60.0° |
OXT | P | N | HN1 | 81.0° | 176.0° |
N | C3 | C4 | H31C | 120.0° | 120.0° |
N | C3 | C4 | H32C | 119.4° | 120.0° |
N | C3 | H31C | H32C | 119.4° | 120.1° |
N | C3 | C4 | H41C | 96.0° | 180.0° |
N | C3 | C4 | H42C | 23.9° | 60.0° |
N | C3 | C4 | H43C | 144.0° | 60.0° |
C4 | C3 | N | HN1 | 23.8° | 11.0° |
C4 | C3 | H31C | H32C | 119.4° | 119.9° |
C3 | C4 | H41C | H42C | 120.0° | 120.0° |
C3 | C4 | H41C | H43C | 120.0° | 120.0° |
C3 | C4 | H42C | H43C | 120.0° | 120.0° |
H21C | C2 | H22C | H23C | 120.0° | 120.0° |
H21C | C2 | C1 | H11C | 19.4° | 60.0° |
H21C | C2 | C1 | H12C | 100.5° | 60.1° |
H22C | C2 | C1 | H11C | 100.6° | 60.0° |
H22C | C2 | C1 | H12C | 139.5° | 180.0° |
H23C | C2 | C1 | H11C | 139.5° | 180.0° |
H23C | C2 | C1 | H12C | 19.5° | 59.9° |
HN1 | N | C3 | H31C | 143.8° | 131.0° |
HN1 | N | C3 | H32C | 95.6° | 108.9° |
H31C | C3 | C4 | H41C | 144.0° | 60.0° |
H31C | C3 | C4 | H42C | 96.1° | 180.0° |
H31C | C3 | C4 | H43C | 24.0° | 60.0° |
H32C | C3 | C4 | H41C | 23.3° | 60.0° |
H32C | C3 | C4 | H42C | 143.3° | 60.0° |
H32C | C3 | C4 | H43C | 96.7° | 179.9° |
H41C | C4 | H42C | H43C | 120.0° | 120.0° |