H9A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | P1 | sing | 1.82Å | 1.90Å | |
O1 | P1 | doub | 1.48Å | 1.49Å | |
P1 | O2 | sing | 1.61Å | 1.63Å | |
O2 | CM | sing | 1.43Å | 1.45Å | |
CM2 | CM | sing | 1.53Å | 1.56Å | |
CM | CM1 | sing | 1.53Å | 1.54Å | |
P1 | O3 | sing | 1.61Å | 1.62Å | |
CM | H1 | sing | 1.09Å | 1.10Å | |
CM2 | H2 | sing | 1.09Å | 1.10Å | |
CM2 | H3 | sing | 1.09Å | 1.10Å | |
CM2 | H4 | sing | 1.09Å | 1.10Å | |
CM1 | H5 | sing | 1.09Å | 1.10Å | |
CM1 | H6 | sing | 1.09Å | 1.10Å | |
CM1 | H7 | sing | 1.09Å | 1.10Å | |
C1 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
C2 | H10 | sing | 1.09Å | 1.10Å | |
C2 | H11 | sing | 1.09Å | 1.10Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | P1 | 117.6° | 109.5° |
C2 | C1 | H8 | 107.4° | 109.5° |
C2 | C1 | H9 | 107.4° | 109.5° |
C1 | C2 | H10 | 109.5° | 109.5° |
C1 | C2 | H11 | 109.5° | 109.4° |
C1 | C2 | H12 | 109.4° | 109.4° |
C1 | P1 | O1 | 100.3° | 109.5° |
C1 | P1 | O2 | 115.2° | 109.5° |
C1 | P1 | O3 | 115.6° | 109.5° |
P1 | C1 | H8 | 107.4° | 109.4° |
P1 | C1 | H9 | 107.4° | 109.5° |
O1 | P1 | O2 | 117.4° | 109.5° |
O1 | P1 | O3 | 111.2° | 109.5° |
P1 | O2 | CM | 119.6° | 123.0° |
O2 | P1 | O3 | 98.0° | 109.4° |
O2 | CM | CM2 | 117.6° | 109.5° |
O2 | CM | CM1 | 111.8° | 109.5° |
O2 | CM | H1 | 107.9° | 109.4° |
CM2 | CM | CM1 | 105.6° | 109.5° |
CM2 | CM | H1 | 106.6° | 109.4° |
CM | CM2 | H2 | 109.5° | 109.5° |
CM | CM2 | H3 | 109.4° | 109.5° |
CM | CM2 | H4 | 109.4° | 109.5° |
CM1 | CM | H1 | 106.8° | 109.5° |
CM | CM1 | H5 | 109.5° | 109.4° |
CM | CM1 | H6 | 109.5° | 109.5° |
CM | CM1 | H7 | 109.4° | 109.5° |
P1 | O3 | H13 | 109.5° | 113.9° |
H2 | CM2 | H3 | 109.5° | 109.5° |
H2 | CM2 | H4 | 109.5° | 109.5° |
H3 | CM2 | H4 | 109.5° | 109.5° |
H5 | CM1 | H6 | 109.5° | 109.5° |
H5 | CM1 | H7 | 109.5° | 109.5° |
H6 | CM1 | H7 | 109.5° | 109.4° |
H8 | C1 | H9 | 109.5° | 109.5° |
H10 | C2 | H11 | 109.4° | 109.5° |
H10 | C2 | H12 | 109.5° | 109.5° |
H11 | C2 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | P1 | H8 | 121.2° | 120.0° |
C2 | C1 | P1 | H9 | 121.2° | 120.0° |
C2 | C1 | P1 | O1 | 118.4° | 55.0° |
C2 | C1 | P1 | O2 | 8.6° | 175.0° |
C2 | C1 | P1 | O3 | 121.9° | 65.0° |
C2 | C1 | H8 | H9 | 116.3° | 120.0° |
C1 | C2 | H10 | H11 | 120.0° | 119.9° |
C1 | C2 | H10 | H12 | 120.0° | 120.0° |
C1 | C2 | H11 | H12 | 120.0° | 119.9° |
C1 | P1 | O1 | O2 | 125.5° | 120.0° |
C1 | P1 | O1 | O3 | 122.8° | 120.0° |
C1 | P1 | O2 | O3 | 123.3° | 120.0° |
C1 | P1 | O2 | CM | 164.2° | 175.0° |
P1 | C1 | H8 | H9 | 116.3° | 120.0° |
P1 | C1 | C2 | H10 | 180.0° | 180.0° |
P1 | C1 | C2 | H11 | 60.0° | 60.0° |
P1 | C1 | C2 | H12 | 60.0° | 59.9° |
C1 | P1 | O3 | H13 | 113.5° | 60.0° |
O1 | P1 | O2 | O3 | 119.0° | 120.0° |
O1 | P1 | O2 | CM | 46.4° | 55.0° |
O1 | P1 | C1 | H8 | 2.8° | 65.0° |
O1 | P1 | C1 | H9 | 120.5° | 175.0° |
O1 | P1 | O3 | H13 | 0.0° | 180.0° |
P1 | O2 | CM | CM2 | 24.5° | 120.0° |
P1 | O2 | CM | CM1 | 97.9° | 120.0° |
P1 | O2 | CM | H1 | 145.0° | 0.1° |
O2 | P1 | C1 | H8 | 129.8° | 55.0° |
O2 | P1 | C1 | H9 | 112.6° | 65.0° |
O2 | P1 | O3 | H13 | 123.6° | 60.0° |
O2 | CM | CM2 | CM1 | 125.5° | 120.1° |
O2 | CM | CM2 | H1 | 121.2° | 119.9° |
O2 | CM | CM1 | H1 | 117.8° | 120.0° |
CM | O2 | P1 | O3 | 72.6° | 65.0° |
O2 | CM | CM2 | H2 | 180.0° | 60.0° |
O2 | CM | CM2 | H3 | 60.0° | 180.0° |
O2 | CM | CM2 | H4 | 60.0° | 60.0° |
O2 | CM | CM1 | H5 | 180.0° | 60.0° |
O2 | CM | CM1 | H6 | 60.0° | 60.0° |
O2 | CM | CM1 | H7 | 60.0° | 180.0° |
CM2 | CM | CM1 | H1 | 113.2° | 120.0° |
CM | CM2 | H2 | H3 | 120.0° | 120.0° |
CM | CM2 | H2 | H4 | 120.0° | 120.0° |
CM | CM2 | H3 | H4 | 120.0° | 120.0° |
CM2 | CM | CM1 | H5 | 51.0° | 60.0° |
CM2 | CM | CM1 | H6 | 69.0° | 180.0° |
CM2 | CM | CM1 | H7 | 171.0° | 60.0° |
CM1 | CM | CM2 | H2 | 54.5° | 60.0° |
CM1 | CM | CM2 | H3 | 174.5° | 60.0° |
CM1 | CM | CM2 | H4 | 65.5° | 180.0° |
CM | CM1 | H5 | H6 | 120.0° | 120.0° |
CM | CM1 | H5 | H7 | 120.0° | 120.0° |
CM | CM1 | H6 | H7 | 120.0° | 120.1° |
O3 | P1 | C1 | H8 | 116.9° | 175.0° |
O3 | P1 | C1 | H9 | 0.8° | 55.0° |
H1 | CM | CM2 | H2 | 58.8° | 180.0° |
H1 | CM | CM2 | H3 | 61.2° | 60.0° |
H1 | CM | CM2 | H4 | 178.8° | 60.0° |
H1 | CM | CM1 | H5 | 62.2° | 180.0° |
H1 | CM | CM1 | H6 | 177.8° | 60.0° |
H1 | CM | CM1 | H7 | 57.8° | 60.0° |
H2 | CM2 | H3 | H4 | 120.0° | 120.0° |
H5 | CM1 | H6 | H7 | 120.0° | 120.0° |
H8 | C1 | C2 | H10 | 58.8° | 60.0° |
H8 | C1 | C2 | H11 | 61.1° | 180.0° |
H8 | C1 | C2 | H12 | 178.9° | 60.0° |
H9 | C1 | C2 | H10 | 58.8° | 60.0° |
H9 | C1 | C2 | H11 | 178.8° | 60.0° |
H9 | C1 | C2 | H12 | 61.2° | 180.0° |
H10 | C2 | H11 | H12 | 120.0° | 120.1° |