19N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | P | doub | 1.48Å | 1.56Å | |
O1 | P | sing | 1.61Å | 1.52Å | |
P | O2 | sing | 1.61Å | 1.54Å | |
P | C6 | sing | 1.82Å | 1.82Å | |
N4 | C6 | sing | 1.47Å | 1.48Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C4 | sing | 1.53Å | 1.55Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C2 | N3 | sing | 1.46Å | 1.46Å | |
N3 | C1 | sing | 1.38Å | 1.33Å | |
N2 | C1 | doub | 1.30Å | 1.34Å | |
C1 | N1 | sing | 1.37Å | 1.28Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
N2 | H3 | sing | 0.97Å | 1.00Å | |
N3 | H4 | sing | 0.97Å | 1.00Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C5 | H12 | sing | 1.09Å | 1.10Å | |
C6 | H13 | sing | 1.09Å | 1.10Å | |
N4 | H14 | sing | 1.01Å | 1.00Å | |
N4 | H15 | sing | 1.01Å | 1.00Å | |
O1 | H17 | sing | 0.97Å | 0.95Å | |
O2 | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | P | O1 | 103.0° | 109.5° |
O3 | P | O2 | 110.2° | 109.5° |
O3 | P | C6 | 108.1° | 109.5° |
O1 | P | O2 | 120.0° | 109.5° |
O1 | P | C6 | 102.9° | 109.4° |
P | O1 | H17 | 109.5° | 114.0° |
O2 | P | C6 | 111.8° | 109.4° |
P | O2 | H18 | 109.5° | 114.0° |
P | C6 | N4 | 105.8° | 109.5° |
P | C6 | C5 | 109.2° | 109.5° |
P | C6 | H13 | 107.4° | 109.5° |
N4 | C6 | C5 | 111.6° | 109.4° |
N4 | C6 | H13 | 111.6° | 109.5° |
C6 | N4 | H14 | 109.5° | 111.0° |
C6 | N4 | H15 | 109.5° | 111.0° |
C6 | C5 | C4 | 103.8° | 109.4° |
C6 | C5 | H11 | 110.9° | 109.5° |
C6 | C5 | H12 | 110.9° | 109.5° |
C5 | C6 | H13 | 110.9° | 109.5° |
C5 | C4 | C3 | 115.2° | 109.4° |
C5 | C4 | H9 | 108.0° | 109.5° |
C5 | C4 | H10 | 108.0° | 109.5° |
C4 | C5 | H11 | 110.9° | 109.5° |
C4 | C5 | H12 | 110.9° | 109.5° |
C4 | C3 | C2 | 113.8° | 109.5° |
C4 | C3 | H7 | 108.4° | 109.5° |
C4 | C3 | H8 | 108.4° | 109.5° |
C3 | C4 | H9 | 108.0° | 109.4° |
C3 | C4 | H10 | 108.1° | 109.5° |
C3 | C2 | N3 | 111.8° | 109.4° |
C3 | C2 | H5 | 108.9° | 109.5° |
C3 | C2 | H6 | 108.9° | 109.5° |
C2 | C3 | H7 | 108.3° | 109.5° |
C2 | C3 | H8 | 108.4° | 109.5° |
C2 | N3 | C1 | 127.8° | 120.0° |
C2 | N3 | H4 | 116.1° | 120.1° |
N3 | C2 | H5 | 108.9° | 109.5° |
N3 | C2 | H6 | 108.9° | 109.5° |
N3 | C1 | N2 | 120.0° | 120.0° |
N3 | C1 | N1 | 119.3° | 120.1° |
C1 | N3 | H4 | 116.1° | 119.9° |
N2 | C1 | N1 | 120.6° | 120.0° |
C1 | N2 | H3 | 112.0° | 120.0° |
C1 | N1 | H1 | 120.0° | 120.0° |
C1 | N1 | H2 | 120.0° | 120.0° |
H1 | N1 | H2 | 120.0° | 120.0° |
H5 | C2 | H6 | 109.5° | 109.5° |
H7 | C3 | H8 | 109.5° | 109.4° |
H9 | C4 | H10 | 109.4° | 109.5° |
H11 | C5 | H12 | 109.5° | 109.5° |
H14 | N4 | H15 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | P | O1 | O2 | 122.9° | 120.1° |
O3 | P | O1 | C6 | 112.3° | 120.0° |
O3 | P | O2 | C6 | 120.2° | 120.0° |
O3 | P | C6 | N4 | 58.8° | 65.0° |
O3 | P | C6 | C5 | 179.0° | 55.0° |
O3 | P | C6 | H13 | 60.5° | 175.0° |
O3 | P | O1 | H17 | 0.0° | 180.0° |
O3 | P | O2 | H18 | 0.0° | 59.9° |
O1 | P | O2 | C6 | 120.6° | 119.9° |
O1 | P | C6 | N4 | 49.7° | 175.0° |
O1 | P | C6 | C5 | 70.6° | 65.0° |
O1 | P | C6 | H13 | 169.0° | 55.0° |
O1 | P | O2 | H18 | 119.2° | 60.1° |
O2 | P | C6 | N4 | 179.8° | 55.0° |
O2 | P | C6 | C5 | 59.5° | 175.0° |
O2 | P | C6 | H13 | 60.9° | 65.0° |
O2 | P | O1 | H17 | 122.9° | 60.0° |
P | C6 | N4 | C5 | 118.7° | 120.0° |
P | C6 | N4 | H13 | 116.6° | 120.0° |
P | C6 | C5 | H13 | 118.3° | 120.0° |
P | C6 | C5 | C4 | 151.9° | 60.0° |
P | C6 | C5 | H11 | 89.0° | 60.0° |
P | C6 | C5 | H12 | 32.8° | 180.0° |
P | C6 | N4 | H14 | 180.0° | 63.9° |
P | C6 | N4 | H15 | 60.0° | 60.0° |
C6 | P | O1 | H17 | 112.3° | 60.0° |
C6 | P | O2 | H18 | 120.2° | 179.9° |
N4 | C6 | C5 | H13 | 125.1° | 120.0° |
N4 | C6 | C5 | C4 | 91.5° | 180.0° |
N4 | C6 | C5 | H11 | 27.6° | 60.0° |
N4 | C6 | C5 | H12 | 149.5° | 60.0° |
C6 | N4 | H14 | H15 | 120.0° | 123.9° |
C6 | C5 | C4 | H11 | 119.1° | 120.0° |
C6 | C5 | C4 | H12 | 119.1° | 120.0° |
C6 | C5 | C4 | C3 | 155.0° | 180.0° |
C6 | C5 | C4 | H9 | 84.2° | 60.1° |
C6 | C5 | C4 | H10 | 34.1° | 60.0° |
C6 | C5 | H11 | H12 | 122.6° | 120.0° |
C5 | C6 | N4 | H14 | 61.3° | 176.1° |
C5 | C6 | N4 | H15 | 178.7° | 60.0° |
C5 | C4 | C3 | H9 | 120.9° | 120.0° |
C5 | C4 | C3 | H10 | 120.8° | 120.0° |
C5 | C4 | C3 | C2 | 55.7° | 180.0° |
C5 | C4 | C3 | H7 | 176.3° | 60.0° |
C5 | C4 | C3 | H8 | 64.9° | 60.0° |
C5 | C4 | H9 | H10 | 117.4° | 120.1° |
C4 | C5 | H11 | H12 | 122.7° | 120.1° |
C4 | C5 | C6 | H13 | 33.6° | 60.0° |
C4 | C3 | C2 | H7 | 120.6° | 120.0° |
C4 | C3 | C2 | H8 | 120.6° | 120.1° |
C4 | C3 | C2 | N3 | 148.0° | 180.0° |
C4 | C3 | C2 | H5 | 91.6° | 60.0° |
C4 | C3 | C2 | H6 | 27.7° | 60.0° |
C4 | C3 | H7 | H8 | 118.0° | 120.1° |
C3 | C4 | H9 | H10 | 117.4° | 120.0° |
C3 | C4 | C5 | H11 | 35.9° | 60.0° |
C3 | C4 | C5 | H12 | 85.9° | 60.0° |
C3 | C2 | N3 | H5 | 120.4° | 120.0° |
C3 | C2 | N3 | H6 | 120.3° | 120.0° |
C3 | C2 | N3 | C1 | 124.6° | 180.0° |
C3 | C2 | N3 | H4 | 55.4° | 0.0° |
C3 | C2 | H5 | H6 | 118.9° | 120.0° |
C2 | C3 | H7 | H8 | 118.0° | 120.0° |
C2 | C3 | C4 | H9 | 65.2° | 60.0° |
C2 | C3 | C4 | H10 | 176.5° | 60.0° |
C2 | N3 | C1 | H4 | 180.0° | 180.0° |
C2 | N3 | C1 | N2 | 63.7° | 0.0° |
C2 | N3 | C1 | N1 | 119.0° | 180.0° |
N3 | C2 | H5 | H6 | 118.9° | 120.0° |
N3 | C2 | C3 | H7 | 27.4° | 60.0° |
N3 | C2 | C3 | H8 | 91.3° | 60.0° |
N3 | C1 | N2 | N1 | 177.2° | 180.0° |
N3 | C1 | N1 | H1 | 177.3° | 180.0° |
N3 | C1 | N1 | H2 | 2.7° | 0.3° |
N3 | C1 | N2 | H3 | 177.2° | 180.0° |
C1 | N3 | C2 | H5 | 4.3° | 60.0° |
C1 | N3 | C2 | H6 | 115.0° | 60.0° |
N2 | C1 | N1 | H1 | 0.0° | 0.0° |
N2 | C1 | N1 | H2 | 180.0° | 179.7° |
N2 | C1 | N3 | H4 | 116.3° | 180.0° |
C1 | N1 | H1 | H2 | 180.0° | 179.7° |
N1 | C1 | N2 | H3 | 0.0° | 0.0° |
N1 | C1 | N3 | H4 | 61.0° | 0.0° |
H4 | N3 | C2 | H5 | 175.7° | 120.0° |
H4 | N3 | C2 | H6 | 65.0° | 120.0° |
H5 | C2 | C3 | H7 | 147.8° | 180.0° |
H5 | C2 | C3 | H8 | 29.0° | 60.0° |
H6 | C2 | C3 | H7 | 92.9° | 60.0° |
H6 | C2 | C3 | H8 | 148.3° | 180.0° |
H7 | C3 | C4 | H9 | 55.5° | 180.0° |
H7 | C3 | C4 | H10 | 62.8° | 60.0° |
H8 | C3 | C4 | H9 | 174.2° | 60.0° |
H8 | C3 | C4 | H10 | 55.9° | 180.0° |
H9 | C4 | C5 | H11 | 156.8° | 180.0° |
H9 | C4 | C5 | H12 | 34.9° | 59.9° |
H10 | C4 | C5 | H11 | 84.9° | 60.0° |
H10 | C4 | C5 | H12 | 153.2° | 180.0° |
H11 | C5 | C6 | H13 | 152.7° | 180.0° |
H12 | C5 | C6 | H13 | 85.5° | 60.0° |
H13 | C6 | N4 | H14 | 63.5° | 56.1° |
H13 | C6 | N4 | H15 | 56.6° | 180.0° |