KPR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
O3 | C3 | doub | 1.21Å | 1.22Å | |
C3 | C2 | sing | 1.51Å | 1.50Å | |
C3 | C4 | sing | 1.41Å | 1.47Å | |
N2 | C2 | sing | 1.47Å | 1.45Å | |
C4 | C5 | doub | 1.35Å | 1.33Å | |
C5 | O5 | sing | 1.35Å | 1.45Å | |
O5 | P | sing | 1.61Å | 1.61Å | |
O1P | P | doub | 1.48Å | 1.51Å | |
P | O2P | sing | 1.61Å | 1.51Å | |
P | O3P | sing | 1.61Å | 1.50Å | |
O3P | H1 | sing | 0.97Å | 0.95Å | |
O2P | H2 | sing | 0.97Å | 0.95Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
N2 | H6 | sing | 1.01Å | 1.00Å | |
N2 | H7 | sing | 1.01Å | 1.00Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
C1 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 111.2° | 109.5° |
C1 | C2 | N2 | 107.9° | 109.5° |
C1 | C2 | H5 | 109.3° | 109.5° |
C2 | C1 | H9 | 109.5° | 109.5° |
C2 | C1 | H10 | 109.5° | 109.5° |
C2 | C1 | H11 | 109.5° | 109.5° |
O3 | C3 | C2 | 120.3° | 120.0° |
O3 | C3 | C4 | 117.7° | 120.0° |
C2 | C3 | C4 | 122.0° | 120.0° |
C3 | C2 | N2 | 108.3° | 109.4° |
C3 | C2 | H5 | 109.7° | 109.5° |
C3 | C4 | C5 | 117.2° | 120.0° |
C3 | C4 | H4 | 121.4° | 120.0° |
N2 | C2 | H5 | 110.4° | 109.5° |
C2 | N2 | H6 | 109.5° | 111.0° |
C2 | N2 | H7 | 109.4° | 111.0° |
C4 | C5 | O5 | 118.1° | 120.0° |
C4 | C5 | H3 | 121.0° | 120.0° |
C5 | C4 | H4 | 121.4° | 120.0° |
C5 | O5 | P | 123.7° | 117.0° |
O5 | C5 | H3 | 120.9° | 120.0° |
O5 | P | O1P | 102.2° | 109.5° |
O5 | P | O2P | 106.9° | 109.4° |
O5 | P | O3P | 102.2° | 109.5° |
O1P | P | O2P | 114.6° | 109.5° |
O1P | P | O3P | 113.9° | 109.5° |
O2P | P | O3P | 115.1° | 109.5° |
P | O2P | H2 | 109.5° | 114.0° |
P | O3P | H1 | 109.5° | 114.0° |
H6 | N2 | H7 | 109.4° | 111.0° |
H9 | C1 | H10 | 109.4° | 109.4° |
H9 | C1 | H11 | 109.5° | 109.5° |
H10 | C1 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | O3 | 107.2° | 105.0° |
C1 | C2 | C3 | N2 | 118.4° | 120.0° |
C1 | C2 | C3 | H5 | 121.1° | 120.0° |
C1 | C2 | C3 | C4 | 73.0° | 75.0° |
C1 | C2 | N2 | H5 | 119.5° | 120.0° |
C1 | C2 | N2 | H6 | 180.0° | 176.0° |
C1 | C2 | N2 | H7 | 60.0° | 60.0° |
C2 | C1 | H9 | H10 | 120.0° | 120.0° |
C2 | C1 | H9 | H11 | 120.0° | 120.1° |
C2 | C1 | H10 | H11 | 120.0° | 120.0° |
O3 | C3 | C2 | C4 | 179.8° | 180.0° |
O3 | C3 | C2 | N2 | 11.2° | 15.0° |
O3 | C3 | C4 | C5 | 23.1° | 0.0° |
O3 | C3 | C4 | H4 | 156.9° | 180.0° |
O3 | C3 | C2 | H5 | 131.7° | 135.0° |
C3 | C2 | N2 | H5 | 120.1° | 120.0° |
C2 | C3 | C4 | C5 | 156.7° | 180.0° |
C2 | C3 | C4 | H4 | 23.3° | 0.1° |
C3 | C2 | N2 | H6 | 59.5° | 64.0° |
C3 | C2 | N2 | H7 | 60.5° | 60.0° |
C3 | C2 | C1 | H9 | 180.0° | 60.1° |
C3 | C2 | C1 | H10 | 60.0° | 180.0° |
C3 | C2 | C1 | H11 | 60.0° | 60.0° |
C4 | C3 | C2 | N2 | 168.6° | 165.0° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | O5 | 179.8° | 180.0° |
C3 | C4 | C5 | H3 | 0.2° | 0.0° |
C4 | C3 | C2 | H5 | 48.0° | 45.0° |
C2 | N2 | H6 | H7 | 120.0° | 123.9° |
N2 | C2 | C1 | H9 | 61.4° | 180.0° |
N2 | C2 | C1 | H10 | 58.6° | 60.1° |
N2 | C2 | C1 | H11 | 178.6° | 60.0° |
C4 | C5 | O5 | H3 | 180.0° | 180.0° |
C4 | C5 | O5 | P | 137.8° | 180.0° |
C5 | O5 | P | O1P | 137.5° | 55.0° |
C5 | O5 | P | O2P | 16.8° | 175.0° |
C5 | O5 | P | O3P | 104.4° | 65.0° |
O5 | C5 | C4 | H4 | 0.2° | 0.1° |
O5 | P | O1P | O2P | 115.2° | 120.0° |
O5 | P | O1P | O3P | 109.4° | 120.0° |
O5 | P | O2P | O3P | 112.6° | 120.0° |
O5 | P | O3P | H1 | 109.4° | 59.9° |
O5 | P | O2P | H2 | 112.5° | 180.0° |
P | O5 | C5 | H3 | 42.2° | 0.0° |
O1P | P | O2P | O3P | 134.9° | 120.0° |
O1P | P | O3P | H1 | 0.0° | 180.0° |
O1P | P | O2P | H2 | 0.0° | 60.0° |
O2P | P | O3P | H1 | 135.2° | 60.0° |
O3P | P | O2P | H2 | 134.9° | 60.0° |
H3 | C5 | C4 | H4 | 179.8° | 179.9° |
H5 | C2 | N2 | H6 | 60.6° | 56.0° |
H5 | C2 | N2 | H7 | 179.4° | 180.0° |
H5 | C2 | C1 | H9 | 58.8° | 59.9° |
H5 | C2 | C1 | H10 | 178.7° | 60.0° |
H5 | C2 | C1 | H11 | 61.3° | 180.0° |
H9 | C1 | H10 | H11 | 120.0° | 120.0° |