P0N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C03 | C02 | sing | 1.53Å | 1.55Å | |
N04 | C02 | sing | 1.47Å | 1.44Å | |
N04 | C05 | sing | 1.47Å | 1.43Å | |
C02 | C15 | sing | 1.53Å | 1.53Å | |
C02 | C01 | sing | 1.53Å | 1.55Å | |
CL1 | C12 | sing | 1.74Å | 1.79Å | |
C15 | O14 | sing | 1.43Å | 1.43Å | |
C05 | C06 | sing | 1.53Å | 1.54Å | |
C06 | O14 | sing | 1.43Å | 1.43Å | |
C06 | C07 | sing | 1.51Å | 1.54Å | |
C12 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C15 | H2 | sing | 1.09Å | 1.10Å | |
C15 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C03 | H8 | sing | 1.09Å | 1.10Å | |
C03 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.09Å | 1.10Å | |
C05 | H11 | sing | 1.09Å | 1.10Å | |
C06 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.08Å | 1.08Å | |
C09 | H14 | sing | 1.08Å | 1.08Å | |
C11 | H15 | sing | 1.08Å | 1.08Å | |
N04 | H16 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C03 | C02 | N04 | 108.4° | 109.5° |
C03 | C02 | C15 | 110.2° | 109.5° |
C03 | C02 | C01 | 108.0° | 109.5° |
C02 | C03 | H7 | 109.5° | 109.5° |
C02 | C03 | H8 | 109.5° | 109.5° |
C02 | C03 | H9 | 109.5° | 109.5° |
C02 | N04 | C05 | 115.7° | 110.7° |
N04 | C02 | C15 | 113.2° | 109.2° |
N04 | C02 | C01 | 109.2° | 109.5° |
C02 | N04 | H16 | 107.9° | 111.0° |
N04 | C05 | C06 | 114.5° | 109.2° |
N04 | C05 | H10 | 108.2° | 109.6° |
N04 | C05 | H11 | 108.2° | 109.5° |
C05 | N04 | H16 | 107.9° | 111.1° |
C15 | C02 | C01 | 107.7° | 109.5° |
C02 | C15 | O14 | 112.4° | 109.3° |
C02 | C15 | H2 | 108.7° | 109.5° |
C02 | C15 | H3 | 108.8° | 109.5° |
C02 | C01 | H4 | 109.5° | 109.5° |
C02 | C01 | H5 | 109.5° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.5° |
CL1 | C12 | C07 | 120.6° | 120.0° |
CL1 | C12 | C11 | 119.4° | 120.0° |
C15 | O14 | C06 | 112.4° | 113.7° |
O14 | C15 | H2 | 108.8° | 109.5° |
O14 | C15 | H3 | 108.7° | 109.5° |
C05 | C06 | O14 | 111.4° | 109.2° |
C05 | C06 | C07 | 111.8° | 109.5° |
C06 | C05 | H10 | 108.2° | 109.5° |
C06 | C05 | H11 | 108.2° | 109.5° |
C05 | C06 | H12 | 108.7° | 109.5° |
O14 | C06 | C07 | 105.9° | 109.5° |
O14 | C06 | H12 | 110.2° | 109.5° |
C06 | C07 | C12 | 120.9° | 120.0° |
C06 | C07 | C08 | 119.5° | 120.0° |
C07 | C06 | H12 | 108.7° | 109.6° |
C07 | C12 | C11 | 120.0° | 120.0° |
C12 | C07 | C08 | 119.6° | 120.0° |
C12 | C11 | C10 | 120.2° | 120.0° |
C12 | C11 | H15 | 119.9° | 120.0° |
C07 | C08 | C09 | 120.2° | 120.0° |
C07 | C08 | H13 | 119.9° | 120.0° |
C11 | C10 | C09 | 119.9° | 120.0° |
C11 | C10 | H1 | 120.1° | 119.9° |
C10 | C11 | H15 | 119.9° | 120.0° |
C08 | C09 | C10 | 120.0° | 120.0° |
C09 | C08 | H13 | 119.9° | 120.0° |
C08 | C09 | H14 | 120.0° | 120.0° |
C09 | C10 | H1 | 120.0° | 120.0° |
C10 | C09 | H14 | 120.0° | 119.9° |
H2 | C15 | H3 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.4° |
H4 | C01 | H6 | 109.5° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.5° |
H7 | C03 | H8 | 109.5° | 109.5° |
H7 | C03 | H9 | 109.5° | 109.4° |
H8 | C03 | H9 | 109.5° | 109.5° |
H10 | C05 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C03 | C02 | N04 | C15 | 122.6° | 120.0° |
C03 | C02 | N04 | C01 | 117.5° | 120.1° |
C03 | C02 | N04 | C05 | 164.9° | 178.6° |
C03 | C02 | C15 | C01 | 117.6° | 120.1° |
C03 | C02 | C15 | O14 | 170.4° | 176.8° |
C03 | C02 | C15 | H2 | 69.1° | 63.2° |
C03 | C02 | C15 | H3 | 50.0° | 56.8° |
C03 | C02 | C01 | H4 | 180.0° | 179.9° |
C03 | C02 | C01 | H5 | 60.0° | 59.9° |
C03 | C02 | C01 | H6 | 60.0° | 60.1° |
C02 | C03 | H7 | H8 | 120.0° | 120.0° |
C02 | C03 | H7 | H9 | 120.0° | 120.0° |
C02 | C03 | H8 | H9 | 120.0° | 120.0° |
C03 | C02 | N04 | H16 | 44.1° | 54.8° |
C02 | N04 | C05 | H16 | 120.9° | 123.7° |
N04 | C02 | C15 | C01 | 120.8° | 119.9° |
N04 | C02 | C15 | O14 | 48.8° | 56.8° |
C02 | N04 | C05 | C06 | 42.2° | 58.7° |
N04 | C02 | C15 | H2 | 169.3° | 176.8° |
N04 | C02 | C15 | H3 | 71.6° | 63.2° |
N04 | C02 | C01 | H4 | 62.2° | 59.7° |
N04 | C02 | C01 | H5 | 57.7° | 60.2° |
N04 | C02 | C01 | H6 | 177.7° | 179.8° |
N04 | C02 | C03 | H7 | 180.0° | 179.8° |
N04 | C02 | C03 | H8 | 60.0° | 60.2° |
N04 | C02 | C03 | H9 | 60.0° | 59.8° |
C02 | N04 | C05 | H10 | 163.0° | 61.3° |
C02 | N04 | C05 | H11 | 78.5° | 178.5° |
C05 | N04 | C02 | C15 | 42.4° | 58.6° |
C05 | N04 | C02 | C01 | 77.6° | 61.3° |
N04 | C05 | C06 | H10 | 120.8° | 120.0° |
N04 | C05 | C06 | H11 | 120.8° | 119.9° |
N04 | C05 | C06 | O14 | 47.7° | 56.9° |
N04 | C05 | C06 | C07 | 166.0° | 176.8° |
N04 | C05 | H10 | H11 | 117.7° | 120.1° |
N04 | C05 | C06 | H12 | 74.0° | 63.0° |
C02 | C15 | O14 | H2 | 120.4° | 120.0° |
C02 | C15 | O14 | H3 | 120.4° | 120.0° |
C02 | C15 | O14 | C06 | 56.0° | 58.7° |
C02 | C15 | H2 | H3 | 118.7° | 120.1° |
C15 | C02 | C01 | H4 | 61.0° | 60.0° |
C15 | C02 | C01 | H5 | 179.0° | 179.9° |
C15 | C02 | C01 | H6 | 59.0° | 60.0° |
C15 | C02 | C03 | H7 | 55.6° | 60.0° |
C15 | C02 | C03 | H8 | 175.6° | 180.0° |
C15 | C02 | C03 | H9 | 64.4° | 60.0° |
C15 | C02 | N04 | H16 | 78.5° | 65.2° |
C01 | C02 | C15 | O14 | 72.0° | 63.1° |
C01 | C02 | C15 | H2 | 48.5° | 56.9° |
C01 | C02 | C15 | H3 | 167.6° | 176.9° |
C02 | C01 | H4 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | C02 | C03 | H7 | 61.8° | 60.1° |
C01 | C02 | C03 | H8 | 58.3° | 59.9° |
C01 | C02 | C03 | H9 | 178.2° | 179.9° |
C01 | C02 | N04 | H16 | 161.5° | 174.9° |
CL1 | C12 | C07 | C06 | 0.3° | 0.5° |
CL1 | C12 | C07 | C11 | 180.0° | 179.8° |
CL1 | C12 | C07 | C08 | 179.9° | 180.0° |
CL1 | C12 | C11 | C10 | 179.8° | 179.8° |
CL1 | C12 | C11 | H15 | 0.2° | 0.2° |
C15 | O14 | C06 | C05 | 54.8° | 58.7° |
C15 | O14 | C06 | C07 | 176.6° | 178.6° |
O14 | C15 | H2 | H3 | 118.6° | 120.1° |
C15 | O14 | C06 | H12 | 66.0° | 61.3° |
C05 | C06 | O14 | C07 | 121.8° | 119.9° |
C05 | C06 | O14 | H12 | 120.8° | 119.9° |
C05 | C06 | C07 | H12 | 120.0° | 120.1° |
C05 | C06 | C07 | C12 | 71.7° | 85.5° |
C05 | C06 | C07 | C08 | 108.1° | 95.0° |
C06 | C05 | H10 | H11 | 117.7° | 120.0° |
C06 | C05 | N04 | H16 | 78.7° | 65.1° |
O14 | C06 | C07 | H12 | 118.4° | 120.1° |
O14 | C06 | C07 | C12 | 166.7° | 154.8° |
O14 | C06 | C07 | C08 | 13.5° | 24.8° |
C06 | O14 | C15 | H2 | 176.5° | 178.6° |
C06 | O14 | C15 | H3 | 64.4° | 61.3° |
O14 | C06 | C05 | H10 | 168.4° | 63.1° |
O14 | C06 | C05 | H11 | 73.1° | 176.8° |
C06 | C07 | C12 | C08 | 179.8° | 179.5° |
C06 | C07 | C12 | C11 | 179.7° | 179.7° |
C06 | C07 | C08 | C09 | 179.6° | 180.0° |
C07 | C06 | C05 | H10 | 73.2° | 56.8° |
C07 | C06 | C05 | H11 | 45.3° | 63.3° |
C06 | C07 | C08 | H13 | 0.3° | 0.0° |
C07 | C12 | C11 | C10 | 0.2° | 0.1° |
C12 | C07 | C08 | C09 | 0.1° | 0.5° |
C12 | C07 | C06 | H12 | 48.3° | 34.6° |
C12 | C07 | C08 | H13 | 179.9° | 179.6° |
C07 | C12 | C11 | H15 | 179.8° | 180.0° |
C11 | C12 | C07 | C08 | 0.0° | 0.2° |
C12 | C11 | C10 | H15 | 180.0° | 179.9° |
C12 | C11 | C10 | C09 | 0.4° | 0.0° |
C12 | C11 | C10 | H1 | 179.6° | 179.7° |
C07 | C08 | C09 | H13 | 180.0° | 179.9° |
C07 | C08 | C09 | C10 | 0.0° | 0.5° |
C08 | C07 | C06 | H12 | 131.9° | 144.9° |
C07 | C08 | C09 | H14 | 180.0° | 179.6° |
C11 | C10 | C09 | C08 | 0.3° | 0.3° |
C11 | C10 | C09 | H1 | 180.0° | 179.7° |
C11 | C10 | C09 | H14 | 179.7° | 179.8° |
C08 | C09 | C10 | H14 | 180.0° | 179.9° |
C08 | C09 | C10 | H1 | 179.7° | 180.0° |
C10 | C09 | C08 | H13 | 180.0° | 179.5° |
C09 | C10 | C11 | H15 | 179.6° | 180.0° |
H1 | C10 | C09 | H14 | 0.3° | 0.1° |
H1 | C10 | C11 | H15 | 0.5° | 0.2° |
H4 | C01 | H5 | H6 | 120.0° | 120.0° |
H7 | C03 | H8 | H9 | 120.0° | 119.9° |
H10 | C05 | C06 | H12 | 46.8° | 177.0° |
H10 | C05 | N04 | H16 | 42.1° | 175.0° |
H11 | C05 | C06 | H12 | 165.3° | 56.9° |
H11 | C05 | N04 | H16 | 160.6° | 54.8° |
H13 | C08 | C09 | H14 | 0.0° | 0.4° |