HN2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O10 | C10 | doub | 1.21Å | 1.22Å | |
C10 | C11 | sing | 1.47Å | 1.50Å | |
C10 | C9 | sing | 1.51Å | 1.52Å | |
C11 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
C9 | C5 | sing | 1.53Å | 1.54Å | |
C5 | C6 | sing | 1.54Å | 1.54Å | |
C5 | N4 | sing | 1.46Å | 1.50Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C7 | C8 | sing | 1.54Å | 1.53Å | |
C8 | O8 | sing | 1.43Å | 1.42Å | |
C8 | C8A | sing | 1.52Å | 1.52Å | |
C8A | C1 | sing | 1.53Å | 1.53Å | |
C8A | N4 | sing | 1.49Å | 1.48Å | |
C1 | O1 | sing | 1.43Å | 1.46Å | |
C1 | C2 | sing | 1.55Å | 1.54Å | |
N4 | C3 | sing | 1.47Å | 1.49Å | |
C3 | C2 | sing | 1.55Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C8A | H8A | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O10 | C10 | C11 | 119.1° | 120.0° |
O10 | C10 | C9 | 121.4° | 120.0° |
C11 | C10 | C9 | 119.4° | 120.0° |
C10 | C11 | C16 | 118.3° | 120.1° |
C10 | C11 | C12 | 120.7° | 120.2° |
C10 | C9 | C5 | 113.2° | 109.4° |
C10 | C9 | H9 | 108.3° | 109.5° |
C10 | C9 | H9A | 107.4° | 109.5° |
C16 | C11 | C12 | 121.0° | 119.7° |
C11 | C16 | C15 | 119.7° | 119.8° |
C11 | C16 | H16 | 120.2° | 120.2° |
C11 | C12 | C13 | 119.2° | 119.8° |
C11 | C12 | H12 | 120.4° | 120.1° |
C16 | C15 | C14 | 119.6° | 120.1° |
C15 | C16 | H16 | 120.2° | 120.0° |
C16 | C15 | H15 | 120.2° | 119.9° |
C15 | C14 | C13 | 121.1° | 120.4° |
C14 | C15 | H15 | 120.2° | 120.0° |
C15 | C14 | H14 | 119.5° | 119.8° |
C14 | C13 | C12 | 119.3° | 120.1° |
C13 | C14 | H14 | 119.4° | 119.7° |
C14 | C13 | H13 | 120.3° | 120.0° |
C12 | C13 | H13 | 120.4° | 119.9° |
C13 | C12 | H12 | 120.4° | 120.1° |
C9 | C5 | C6 | 113.0° | 109.8° |
C9 | C5 | N4 | 114.1° | 109.8° |
C5 | C9 | H9 | 108.3° | 109.5° |
C5 | C9 | H9A | 107.4° | 109.5° |
C9 | C5 | H5 | 102.4° | 109.8° |
C6 | C5 | N4 | 105.3° | 107.8° |
C5 | C6 | C7 | 112.2° | 110.7° |
C6 | C5 | H5 | 111.6° | 109.8° |
C5 | C6 | H6 | 108.6° | 109.2° |
C5 | C6 | H6A | 107.9° | 109.2° |
C5 | N4 | C8A | 116.5° | 109.4° |
C5 | N4 | C3 | 116.5° | 116.6° |
N4 | C5 | H5 | 110.6° | 109.8° |
C6 | C7 | C8 | 111.7° | 110.6° |
C7 | C6 | H6 | 108.6° | 109.2° |
C7 | C6 | H6A | 108.0° | 109.2° |
C6 | C7 | H7 | 108.7° | 109.3° |
C6 | C7 | H7A | 108.3° | 109.3° |
C7 | C8 | O8 | 109.9° | 109.9° |
C7 | C8 | C8A | 108.8° | 107.6° |
C8 | C7 | H7 | 108.8° | 109.3° |
C8 | C7 | H7A | 108.3° | 109.2° |
C7 | C8 | H8 | 109.3° | 109.8° |
O8 | C8 | C8A | 108.5° | 109.9° |
O8 | C8 | H8 | 109.6° | 109.8° |
C8 | O8 | HO8 | 109.5° | 114.0° |
C8 | C8A | C1 | 116.4° | 113.9° |
C8 | C8A | N4 | 111.2° | 107.5° |
C8A | C8 | H8 | 110.7° | 109.9° |
C8 | C8A | H8A | 101.6° | 110.2° |
C1 | C8A | N4 | 103.4° | 103.7° |
C8A | C1 | O1 | 113.7° | 110.5° |
C8A | C1 | C2 | 102.9° | 104.2° |
C1 | C8A | H8A | 109.7° | 110.3° |
C8A | C1 | H1 | 111.5° | 110.5° |
C8A | N4 | C3 | 103.4° | 103.7° |
N4 | C8A | H8A | 115.0° | 110.9° |
O1 | C1 | C2 | 110.7° | 110.5° |
O1 | C1 | H1 | 103.9° | 110.5° |
C1 | O1 | HO1 | 109.5° | 113.9° |
C1 | C2 | C3 | 106.5° | 105.0° |
C1 | C2 | O2 | 110.0° | 110.3° |
C2 | C1 | H1 | 114.5° | 110.6° |
C1 | C2 | H2 | 111.8° | 110.3° |
N4 | C3 | C2 | 102.8° | 103.5° |
N4 | C3 | H3 | 111.8° | 110.6° |
N4 | C3 | H3A | 113.2° | 110.5° |
C3 | C2 | O2 | 111.5° | 110.4° |
C2 | C3 | H3 | 111.8° | 110.6° |
C2 | C3 | H3A | 113.2° | 110.7° |
C3 | C2 | H2 | 110.3° | 110.4° |
O2 | C2 | H2 | 106.8° | 110.4° |
C2 | O2 | HO2 | 109.5° | 114.0° |
H9 | C9 | H9A | 112.4° | 109.5° |
H6 | C6 | H6A | 111.6° | 109.2° |
H7 | C7 | H7A | 111.2° | 109.2° |
H3 | C3 | H3A | 104.4° | 110.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O10 | C10 | C11 | C9 | 176.0° | 179.7° |
O10 | C10 | C11 | C16 | 1.0° | 0.0° |
O10 | C10 | C11 | C12 | 177.4° | 179.7° |
O10 | C10 | C9 | C5 | 12.8° | 5.6° |
O10 | C10 | C9 | H9 | 107.2° | 125.6° |
O10 | C10 | C9 | H9A | 131.2° | 114.3° |
C10 | C11 | C16 | C12 | 178.5° | 179.8° |
C10 | C11 | C16 | C15 | 179.0° | 180.0° |
C10 | C11 | C12 | C13 | 178.3° | 179.7° |
C11 | C10 | C9 | C5 | 171.3° | 174.7° |
C10 | C11 | C16 | H16 | 1.0° | 0.0° |
C10 | C11 | C12 | H12 | 1.7° | 0.1° |
C11 | C10 | C9 | H9 | 68.7° | 54.7° |
C11 | C10 | C9 | H9A | 52.9° | 65.4° |
C9 | C10 | C11 | C16 | 177.1° | 179.8° |
C9 | C10 | C11 | C12 | 1.4° | 0.0° |
C10 | C9 | C5 | H9 | 120.0° | 120.0° |
C10 | C9 | C5 | H9A | 118.4° | 120.0° |
C10 | C9 | C5 | C6 | 73.7° | 66.5° |
C10 | C9 | C5 | N4 | 166.0° | 175.1° |
C10 | C9 | H9 | H9A | 118.5° | 120.0° |
C10 | C9 | C5 | H5 | 46.5° | 54.3° |
C11 | C16 | C15 | H16 | 180.0° | 180.0° |
C11 | C16 | C15 | C14 | 0.2° | 0.0° |
C16 | C11 | C12 | C13 | 0.1° | 0.5° |
C11 | C16 | C15 | H15 | 179.8° | 180.0° |
C16 | C11 | C12 | H12 | 179.9° | 179.7° |
C12 | C11 | C16 | C15 | 0.6° | 0.2° |
C11 | C12 | C13 | C14 | 1.2° | 0.5° |
C11 | C12 | C13 | H12 | 180.0° | 179.8° |
C12 | C11 | C16 | H16 | 179.4° | 179.8° |
C11 | C12 | C13 | H13 | 178.8° | 179.7° |
C16 | C15 | C14 | H15 | 180.0° | 180.0° |
C16 | C15 | C14 | C13 | 0.9° | 0.0° |
C16 | C15 | C14 | H14 | 179.1° | 180.0° |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 1.6° | 0.3° |
C14 | C15 | C16 | H16 | 179.8° | 180.0° |
C15 | C14 | C13 | H13 | 178.4° | 179.9° |
C14 | C13 | C12 | H13 | 180.0° | 179.8° |
C13 | C14 | C15 | H15 | 179.1° | 180.0° |
C14 | C13 | C12 | H12 | 178.8° | 179.7° |
C12 | C13 | C14 | H14 | 178.4° | 179.8° |
C9 | C5 | C6 | N4 | 125.1° | 119.6° |
C9 | C5 | C6 | H5 | 114.8° | 120.8° |
C9 | C5 | N4 | H5 | 114.8° | 120.8° |
C9 | C5 | C6 | C7 | 69.4° | 62.2° |
C9 | C5 | N4 | C8A | 67.1° | 54.0° |
C9 | C5 | N4 | C3 | 55.4° | 63.1° |
C5 | C9 | H9 | H9A | 118.5° | 120.0° |
C9 | C5 | C6 | H6 | 170.6° | 177.5° |
C9 | C5 | C6 | H6A | 49.4° | 58.1° |
C6 | C5 | N4 | H5 | 120.7° | 119.6° |
C5 | C6 | C7 | H6 | 120.0° | 120.3° |
C5 | C6 | C7 | H6A | 118.8° | 120.3° |
C5 | C6 | C7 | C8 | 58.4° | 53.7° |
C6 | C5 | N4 | C8A | 57.4° | 65.6° |
C6 | C5 | N4 | C3 | 179.9° | 177.3° |
C6 | C5 | C9 | H9 | 46.3° | 53.5° |
C6 | C5 | C9 | H9A | 167.9° | 173.5° |
C5 | C6 | H6 | H6A | 118.9° | 119.4° |
C5 | C6 | C7 | H7 | 178.4° | 174.1° |
C5 | C6 | C7 | H7A | 60.7° | 66.5° |
N4 | C5 | C6 | C7 | 55.7° | 57.4° |
C5 | N4 | C8A | C8 | 58.4° | 69.8° |
C5 | N4 | C8A | C1 | 175.8° | 169.2° |
C5 | N4 | C8A | C3 | 129.2° | 125.0° |
C5 | N4 | C3 | C2 | 169.6° | 162.4° |
N4 | C5 | C9 | H9 | 74.0° | 64.9° |
N4 | C5 | C9 | H9A | 47.6° | 55.2° |
N4 | C5 | C6 | H6 | 64.3° | 63.0° |
N4 | C5 | C6 | H6A | 174.5° | 177.7° |
C5 | N4 | C8A | H8A | 56.3° | 50.8° |
C5 | N4 | C3 | H3 | 49.6° | 43.9° |
C5 | N4 | C3 | H3A | 67.9° | 79.0° |
C6 | C7 | C8 | H7 | 120.0° | 120.3° |
C6 | C7 | C8 | H7A | 119.1° | 120.3° |
C6 | C7 | C8 | O8 | 173.1° | 175.7° |
C6 | C7 | C8 | C8A | 54.4° | 56.1° |
C7 | C6 | C5 | H5 | 175.7° | 177.0° |
C7 | C6 | H6 | H6A | 118.9° | 119.4° |
C6 | C7 | H7 | H7A | 119.1° | 119.5° |
C6 | C7 | C8 | H8 | 66.5° | 63.5° |
C7 | C8 | O8 | C8A | 118.9° | 118.2° |
C7 | C8 | O8 | H8 | 120.2° | 120.9° |
C7 | C8 | C8A | H8 | 120.1° | 119.5° |
C7 | C8 | C8A | C1 | 171.2° | 177.2° |
C7 | C8 | C8A | N4 | 53.1° | 62.8° |
C8 | C7 | C6 | H6 | 61.6° | 66.6° |
C8 | C7 | C6 | H6A | 177.2° | 174.1° |
C8 | C7 | H7 | H7A | 119.1° | 119.4° |
C7 | C8 | O8 | HO8 | 104.8° | 60.0° |
C7 | C8 | C8A | H8A | 69.7° | 58.2° |
O8 | C8 | C8A | H8 | 120.3° | 120.9° |
O8 | C8 | C8A | C1 | 69.2° | 63.2° |
O8 | C8 | C8A | N4 | 172.7° | 177.6° |
O8 | C8 | C7 | H7 | 66.9° | 64.0° |
O8 | C8 | C7 | H7A | 54.0° | 55.3° |
O8 | C8 | C8A | H8A | 49.8° | 61.4° |
C8 | C8A | C1 | N4 | 122.3° | 116.6° |
C8 | C8A | C1 | H8A | 114.5° | 124.6° |
C8 | C8A | N4 | H8A | 114.7° | 120.6° |
C8 | C8A | C1 | O1 | 35.6° | 25.8° |
C8 | C8A | C1 | C2 | 155.3° | 144.5° |
C8 | C8A | N4 | C3 | 172.4° | 165.2° |
C8A | C8 | C7 | H7 | 174.4° | 176.4° |
C8A | C8 | C7 | H7A | 64.6° | 64.2° |
C8A | C8 | O8 | HO8 | 14.1° | 178.1° |
C8 | C8A | C1 | H1 | 81.4° | 96.7° |
C1 | C8A | N4 | H8A | 119.5° | 118.4° |
C8A | C1 | O1 | C2 | 115.2° | 114.8° |
C8A | C1 | O1 | H1 | 121.4° | 122.5° |
C8A | C1 | C2 | H1 | 121.2° | 118.7° |
C1 | C8A | N4 | C3 | 46.7° | 44.2° |
C8A | C1 | C2 | C3 | 8.1° | 2.5° |
C8A | C1 | C2 | O2 | 129.1° | 121.4° |
C1 | C8A | C8 | H8 | 51.1° | 57.7° |
C8A | C1 | O1 | HO1 | 19.9° | 180.0° |
C8A | C1 | C2 | H2 | 112.4° | 116.4° |
N4 | C8A | C1 | O1 | 86.7° | 90.8° |
N4 | C8A | C1 | C2 | 33.0° | 27.9° |
C8A | N4 | C3 | C2 | 40.5° | 42.2° |
C8A | N4 | C5 | H5 | 178.1° | 174.8° |
N4 | C8A | C8 | H8 | 67.0° | 56.7° |
N4 | C8A | C1 | H1 | 156.3° | 146.7° |
C8A | N4 | C3 | H3 | 79.5° | 76.3° |
C8A | N4 | C3 | H3A | 162.9° | 160.8° |
O1 | C1 | C2 | H1 | 117.0° | 122.6° |
O1 | C1 | C2 | C3 | 113.7° | 116.2° |
O1 | C1 | C2 | O2 | 7.3° | 2.7° |
O1 | C1 | C8A | H8A | 150.1° | 150.3° |
O1 | C1 | C2 | H2 | 125.8° | 124.9° |
C1 | C2 | C3 | N4 | 19.3° | 24.0° |
C1 | C2 | C3 | O2 | 120.0° | 118.9° |
C1 | C2 | C3 | H2 | 121.5° | 118.9° |
C1 | C2 | O2 | H2 | 121.5° | 122.2° |
C2 | C1 | C8A | H8A | 90.1° | 91.0° |
C2 | C1 | O1 | HO1 | 135.2° | 65.3° |
C1 | C2 | C3 | H3 | 100.7° | 94.5° |
C1 | C2 | C3 | H3A | 141.8° | 142.4° |
C1 | C2 | O2 | HO2 | 25.1° | 180.0° |
N4 | C3 | C2 | H3 | 120.0° | 118.5° |
N4 | C3 | C2 | H3A | 122.5° | 118.5° |
N4 | C3 | C2 | O2 | 100.7° | 94.9° |
C3 | N4 | C5 | H5 | 59.4° | 57.7° |
C3 | N4 | C8A | H8A | 72.9° | 74.1° |
N4 | C3 | H3 | H3A | 122.7° | 122.9° |
N4 | C3 | C2 | H2 | 140.8° | 142.9° |
C3 | C2 | O2 | H2 | 120.6° | 122.2° |
C3 | C2 | C1 | H1 | 129.3° | 121.2° |
C2 | C3 | H3 | H3A | 122.7° | 123.0° |
C3 | C2 | O2 | HO2 | 92.9° | 64.5° |
O2 | C2 | C1 | H1 | 109.7° | 119.9° |
O2 | C2 | C3 | H3 | 139.3° | 146.6° |
O2 | C2 | C3 | H3A | 21.8° | 23.6° |
H16 | C16 | C15 | H15 | 0.2° | 0.0° |
H15 | C15 | C14 | H14 | 0.9° | 0.0° |
H14 | C14 | C13 | H13 | 1.6° | 0.0° |
H13 | C13 | C12 | H12 | 1.1° | 0.1° |
H9 | C9 | C5 | H5 | 166.5° | 174.3° |
H9A | C9 | C5 | H5 | 71.9° | 65.6° |
H5 | C5 | C6 | H6 | 55.7° | 56.7° |
H5 | C5 | C6 | H6A | 65.4° | 62.7° |
H6 | C6 | C7 | H7 | 58.4° | 53.7° |
H6 | C6 | C7 | H7A | 179.3° | 173.1° |
H6A | C6 | C7 | H7 | 62.8° | 65.6° |
H6A | C6 | C7 | H7A | 58.1° | 53.8° |
H7 | C7 | C8 | H8 | 53.5° | 56.8° |
H7A | C7 | C8 | H8 | 174.4° | 176.2° |
H8 | C8 | O8 | HO8 | 135.0° | 60.9° |
H8 | C8 | C8A | H8A | 170.1° | 177.7° |
H8A | C8A | C1 | H1 | 33.1° | 27.8° |
H1 | C1 | O1 | HO1 | 101.4° | 57.5° |
H1 | C1 | C2 | H2 | 8.8° | 2.3° |
H3 | C3 | C2 | H2 | 20.8° | 24.4° |
H3A | C3 | C2 | H2 | 96.7° | 98.7° |
H2 | C2 | O2 | HO2 | 146.6° | 57.8° |