TC3
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 | 1.38Å | |
O3 | P | sing | 1.61Å | 1.58Å | |
P | O2 | doub | 1.48Å | 1.45Å | |
P | N | sing | 1.68Å | 1.63Å | |
P | OXT | sing | 1.61Å | 1.65Å | |
N | C3 | sing | 1.47Å | 1.49Å | |
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 | |
C3 | H33C | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O3 | 103.5° | 109.5° |
C1 | C2 | H21C | 109.5° | 109.5° |
C1 | C2 | H22C | 109.5° | 109.5° |
C1 | C2 | H23C | 109.5° | 109.4° |
C2 | C1 | H11C | 111.5° | 109.5° |
C2 | C1 | H12C | 112.8° | 109.5° |
C1 | O3 | P | 126.4° | 123.0° |
O3 | C1 | H11C | 111.5° | 109.4° |
O3 | C1 | H12C | 112.7° | 109.4° |
O3 | P | O2 | 106.7° | 109.4° |
O3 | P | N | 107.6° | 109.5° |
O3 | P | OXT | 104.8° | 109.5° |
O2 | P | N | 121.2° | 109.5° |
O2 | P | OXT | 113.0° | 109.5° |
N | P | OXT | 102.2° | 109.5° |
P | N | C3 | 117.1° | 111.0° |
P | N | HN1 | 107.0° | 111.0° |
P | OXT | HXT | 109.5° | 114.0° |
C3 | N | HN1 | 107.0° | 111.0° |
N | C3 | H31C | 109.5° | 109.5° |
N | C3 | H32C | 109.5° | 109.5° |
N | C3 | H33C | 109.5° | 109.4° |
H21C | C2 | H22C | 109.4° | 109.5° |
H21C | C2 | H23C | 109.4° | 109.5° |
H22C | C2 | H23C | 109.5° | 109.4° |
H11C | C1 | H12C | 105.0° | 109.4° |
H31C | C3 | H32C | 109.4° | 109.5° |
H31C | C3 | H33C | 109.5° | 109.4° |
H32C | C3 | H33C | 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 | 122.2° | 120.1° |
C2 | C1 | O3 | P | 125.0° | 180.0° |
C1 | C2 | H21C | H22C | 120.0° | 120.0° |
C1 | C2 | H21C | H23C | 120.0° | 120.0° |
C1 | C2 | H22C | H23C | 120.0° | 119.9° |
C2 | C1 | H11C | H12C | 122.4° | 120.1° |
C1 | O3 | P | O2 | 137.5° | 45.1° |
C1 | O3 | P | N | 5.9° | 75.0° |
C1 | O3 | P | OXT | 102.4° | 165.0° |
O3 | C1 | C2 | H21C | 4.0° | 60.0° |
O3 | C1 | C2 | H22C | 123.9° | 60.0° |
O3 | C1 | C2 | H23C | 116.0° | 180.0° |
O3 | C1 | H11C | H12C | 122.4° | 119.9° |
O3 | P | O2 | N | 123.5° | 120.1° |
O3 | P | O2 | OXT | 114.7° | 120.0° |
O3 | P | N | OXT | 110.1° | 120.0° |
O3 | P | N | C3 | 93.5° | 60.0° |
P | O3 | C1 | H11C | 5.0° | 60.0° |
P | O3 | C1 | H12C | 112.8° | 59.9° |
O3 | P | N | HN1 | 26.5° | 176.1° |
O3 | P | OXT | HXT | 65.1° | 60.0° |
O2 | P | N | OXT | 126.8° | 120.0° |
O2 | P | N | C3 | 29.6° | 180.0° |
O2 | P | N | HN1 | 149.6° | 56.1° |
O2 | P | OXT | HXT | 179.1° | 180.0° |
P | N | C3 | HN1 | 120.0° | 123.9° |
N | P | OXT | HXT | 47.1° | 60.0° |
P | N | C3 | H31C | 39.5° | 60.0° |
P | N | C3 | H32C | 80.5° | 60.0° |
P | N | C3 | H33C | 159.5° | 179.9° |
OXT | P | N | C3 | 156.5° | 60.0° |
OXT | P | N | HN1 | 83.5° | 63.9° |
N | C3 | H31C | H32C | 120.0° | 120.0° |
N | C3 | H31C | H33C | 120.0° | 119.9° |
N | C3 | H32C | H33C | 120.0° | 120.0° |
H21C | C2 | H22C | H23C | 120.0° | 120.1° |
H21C | C2 | C1 | H11C | 123.9° | 60.0° |
H21C | C2 | C1 | H12C | 118.2° | 180.0° |
H22C | C2 | C1 | H11C | 116.1° | 180.0° |
H22C | C2 | C1 | H12C | 1.7° | 60.0° |
H23C | C2 | C1 | H11C | 4.0° | 60.1° |
H23C | C2 | C1 | H12C | 121.8° | 60.0° |
HN1 | N | C3 | H31C | 159.4° | 176.0° |
HN1 | N | C3 | H32C | 39.4° | 63.9° |
HN1 | N | C3 | H33C | 80.5° | 56.1° |
H31C | C3 | H32C | H33C | 120.0° | 120.0° |