NZ7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | C8 | sing | 1.55Å | 1.51Å | |
C9 | O3 | sing | 1.44Å | 1.42Å | |
C8 | C7 | sing | 1.54Å | 1.55Å | |
O3 | C10 | sing | 1.43Å | 1.43Å | |
C6 | C7 | sing | 1.52Å | 1.52Å | |
C6 | O2 | sing | 1.43Å | 1.43Å | |
C7 | C10 | sing | 1.54Å | 1.54Å | |
C7 | N2 | sing | 1.46Å | 1.49Å | |
O2 | C5 | sing | 1.43Å | 1.42Å | |
O1 | C3 | doub | 1.22Å | 1.24Å | |
N2 | C3 | sing | 1.35Å | 1.37Å | |
N2 | C4 | sing | 1.47Å | 1.48Å | |
C3 | N1 | sing | 1.35Å | 1.33Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
C1 | N1 | sing | 1.46Å | 1.47Å | |
N1 | C2 | sing | 1.46Å | 1.47Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
C2 | H15 | sing | 1.09Å | 1.10Å | |
C2 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C8 | C9 | O3 | 104.8° | 105.2° |
C9 | C8 | C7 | 104.0° | 100.9° |
C9 | C8 | H7 | 110.8° | 111.2° |
C9 | C8 | H8 | 110.8° | 111.2° |
C8 | C9 | H17 | 110.6° | 110.3° |
C8 | C9 | H18 | 110.6° | 110.3° |
C9 | O3 | C10 | 106.4° | 109.9° |
O3 | C9 | H17 | 110.6° | 110.3° |
O3 | C9 | H18 | 110.6° | 110.3° |
C8 | C7 | C6 | 111.0° | 110.6° |
C8 | C7 | C10 | 103.2° | 103.2° |
C8 | C7 | N2 | 112.4° | 110.5° |
C7 | C8 | H7 | 110.8° | 111.1° |
C7 | C8 | H8 | 110.8° | 111.1° |
O3 | C10 | C7 | 105.7° | 107.3° |
O3 | C10 | H9 | 110.4° | 109.8° |
O3 | C10 | H10 | 110.4° | 110.0° |
C7 | C6 | O2 | 111.4° | 109.3° |
C6 | C7 | C10 | 110.8° | 111.0° |
C6 | C7 | N2 | 109.2° | 110.5° |
C7 | C6 | H5 | 109.0° | 109.5° |
C7 | C6 | H6 | 109.0° | 109.5° |
C6 | O2 | C5 | 113.2° | 114.1° |
O2 | C6 | H5 | 109.0° | 109.5° |
O2 | C6 | H6 | 109.0° | 109.5° |
C10 | C7 | N2 | 110.0° | 110.9° |
C7 | C10 | H9 | 110.4° | 109.9° |
C7 | C10 | H10 | 110.4° | 109.8° |
C7 | N2 | C3 | 122.9° | 121.0° |
C7 | N2 | C4 | 114.2° | 118.0° |
O2 | C5 | C4 | 112.1° | 109.4° |
O2 | C5 | H3 | 108.8° | 109.5° |
O2 | C5 | H4 | 108.8° | 109.5° |
O1 | C3 | N2 | 120.6° | 120.0° |
O1 | C3 | N1 | 120.2° | 120.0° |
C3 | N2 | C4 | 122.9° | 121.0° |
N2 | C3 | N1 | 119.1° | 120.0° |
N2 | C4 | C5 | 110.9° | 108.2° |
N2 | C4 | H1 | 109.1° | 109.7° |
N2 | C4 | H2 | 109.1° | 109.7° |
C3 | N1 | C1 | 123.8° | 120.0° |
C3 | N1 | C2 | 122.1° | 120.0° |
C5 | C4 | H1 | 109.1° | 109.8° |
C5 | C4 | H2 | 109.1° | 109.7° |
C4 | C5 | H3 | 108.8° | 109.5° |
C4 | C5 | H4 | 108.8° | 109.4° |
C1 | N1 | C2 | 114.1° | 120.0° |
N1 | C1 | H11 | 109.5° | 109.5° |
N1 | C1 | H12 | 109.5° | 109.4° |
N1 | C1 | H13 | 109.5° | 109.5° |
N1 | C2 | H14 | 109.5° | 109.5° |
N1 | C2 | H15 | 109.5° | 109.5° |
N1 | C2 | H16 | 109.5° | 109.5° |
H1 | C4 | H2 | 109.4° | 109.7° |
H3 | C5 | H4 | 109.5° | 109.5° |
H5 | C6 | H6 | 109.5° | 109.5° |
H7 | C8 | H8 | 109.4° | 111.0° |
H9 | C10 | H10 | 109.5° | 109.9° |
H11 | C1 | H12 | 109.5° | 109.5° |
H11 | C1 | H13 | 109.4° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.5° |
H14 | C2 | H15 | 109.5° | 109.4° |
H14 | C2 | H16 | 109.5° | 109.4° |
H15 | C2 | H16 | 109.5° | 109.5° |
H17 | C9 | H18 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C8 | C9 | O3 | H17 | 119.3° | 119.0° |
C8 | C9 | O3 | H18 | 119.3° | 118.9° |
C9 | C8 | C7 | H7 | 119.2° | 117.9° |
C9 | C8 | C7 | H8 | 119.1° | 118.0° |
C8 | C9 | O3 | C10 | 41.3° | 24.3° |
C9 | C8 | C7 | C6 | 127.2° | 152.0° |
C9 | C8 | C7 | C10 | 8.4° | 33.3° |
C9 | C8 | C7 | N2 | 110.1° | 85.3° |
C9 | C8 | H7 | H8 | 122.5° | 124.3° |
C8 | C9 | H17 | H18 | 122.1° | 122.1° |
O3 | C9 | C8 | C7 | 29.8° | 35.7° |
C9 | O3 | C10 | C7 | 35.5° | 2.3° |
O3 | C9 | C8 | H7 | 89.4° | 153.6° |
O3 | C9 | C8 | H8 | 148.9° | 82.3° |
C9 | O3 | C10 | H9 | 83.9° | 121.7° |
C9 | O3 | C10 | H10 | 154.9° | 117.1° |
O3 | C9 | H17 | H18 | 122.1° | 122.1° |
C8 | C7 | C10 | O3 | 15.4° | 20.5° |
C8 | C7 | C6 | C10 | 114.1° | 113.9° |
C8 | C7 | C6 | N2 | 124.5° | 122.7° |
C8 | C7 | C6 | O2 | 94.6° | 172.5° |
C8 | C7 | C10 | N2 | 120.2° | 118.3° |
C8 | C7 | N2 | C3 | 27.9° | 9.3° |
C8 | C7 | N2 | C4 | 153.8° | 170.7° |
C8 | C7 | C6 | H5 | 145.1° | 67.5° |
C8 | C7 | C6 | H6 | 25.7° | 52.5° |
C7 | C8 | H7 | H8 | 122.5° | 124.2° |
C8 | C7 | C10 | H9 | 104.0° | 98.9° |
C8 | C7 | C10 | H10 | 134.8° | 140.0° |
C7 | C8 | C9 | H17 | 89.5° | 83.3° |
C7 | C8 | C9 | H18 | 149.0° | 154.6° |
O3 | C10 | C7 | C6 | 103.5° | 138.9° |
O3 | C10 | C7 | H9 | 119.4° | 119.4° |
O3 | C10 | C7 | H10 | 119.4° | 119.6° |
O3 | C10 | C7 | N2 | 135.6° | 97.8° |
O3 | C10 | H9 | H10 | 121.7° | 121.2° |
C10 | O3 | C9 | H17 | 77.9° | 94.6° |
C10 | O3 | C9 | H18 | 160.6° | 143.2° |
C7 | C6 | O2 | H5 | 120.3° | 120.0° |
C7 | C6 | O2 | H6 | 120.3° | 119.9° |
C6 | C7 | C10 | N2 | 120.9° | 123.2° |
C7 | C6 | O2 | C5 | 66.9° | 60.8° |
C6 | C7 | N2 | C3 | 151.6° | 132.0° |
C6 | C7 | N2 | C4 | 30.1° | 48.0° |
C7 | C6 | H5 | H6 | 119.1° | 120.1° |
C6 | C7 | C8 | H7 | 8.1° | 90.1° |
C6 | C7 | C8 | H8 | 113.6° | 34.0° |
C6 | C7 | C10 | H9 | 137.1° | 19.5° |
C6 | C7 | C10 | H10 | 15.9° | 101.5° |
O2 | C6 | C7 | C10 | 151.3° | 73.6° |
O2 | C6 | C7 | N2 | 29.9° | 49.8° |
C6 | O2 | C5 | C4 | 36.6° | 63.2° |
C6 | O2 | C5 | H3 | 83.8° | 56.8° |
C6 | O2 | C5 | H4 | 157.0° | 176.9° |
O2 | C6 | H5 | H6 | 119.2° | 120.1° |
C10 | C7 | N2 | C3 | 86.5° | 104.5° |
C10 | C7 | N2 | C4 | 91.8° | 75.5° |
C10 | C7 | C6 | H5 | 31.0° | 46.4° |
C10 | C7 | C6 | H6 | 88.5° | 166.4° |
C10 | C7 | C8 | H7 | 110.7° | 151.2° |
C10 | C7 | C8 | H8 | 127.5° | 84.7° |
C7 | C10 | H9 | H10 | 121.7° | 121.0° |
C7 | N2 | C3 | O1 | 44.5° | 18.6° |
C7 | N2 | C3 | C4 | 178.1° | 180.0° |
C7 | N2 | C3 | N1 | 139.5° | 161.4° |
C7 | N2 | C4 | C5 | 59.2° | 49.1° |
C7 | N2 | C4 | H1 | 179.4° | 70.7° |
C7 | N2 | C4 | H2 | 61.1° | 168.7° |
N2 | C7 | C6 | H5 | 90.4° | 169.8° |
N2 | C7 | C6 | H6 | 150.2° | 70.1° |
N2 | C7 | C8 | H7 | 130.8° | 32.6° |
N2 | C7 | C8 | H8 | 9.0° | 156.7° |
N2 | C7 | C10 | H9 | 16.2° | 142.8° |
N2 | C7 | C10 | H10 | 105.0° | 21.7° |
O2 | C5 | C4 | N2 | 23.9° | 53.1° |
O2 | C5 | C4 | H3 | 120.4° | 120.0° |
O2 | C5 | C4 | H4 | 120.4° | 120.0° |
O2 | C5 | C4 | H1 | 144.2° | 66.6° |
O2 | C5 | C4 | H2 | 96.3° | 172.7° |
O2 | C5 | H3 | H4 | 118.8° | 120.1° |
C5 | O2 | C6 | H5 | 53.4° | 179.2° |
C5 | O2 | C6 | H6 | 172.9° | 59.1° |
O1 | C3 | N2 | N1 | 176.0° | 180.0° |
O1 | C3 | N2 | C4 | 133.6° | 161.4° |
O1 | C3 | N1 | C1 | 158.0° | 163.5° |
O1 | C3 | N1 | C2 | 20.7° | 16.3° |
C3 | N2 | C4 | C5 | 122.6° | 130.9° |
N2 | C3 | N1 | C1 | 26.0° | 16.5° |
N2 | C3 | N1 | C2 | 155.3° | 163.7° |
C3 | N2 | C4 | H1 | 2.3° | 109.3° |
C3 | N2 | C4 | H2 | 117.2° | 11.3° |
C4 | N2 | C3 | N1 | 42.4° | 18.6° |
N2 | C4 | C5 | H1 | 120.2° | 119.7° |
N2 | C4 | C5 | H2 | 120.3° | 119.7° |
N2 | C4 | H1 | H2 | 119.3° | 120.6° |
N2 | C4 | C5 | H3 | 144.3° | 66.9° |
N2 | C4 | C5 | H4 | 96.5° | 173.0° |
C3 | N1 | C1 | C2 | 178.8° | 179.8° |
C3 | N1 | C1 | H11 | 180.0° | 96.4° |
C3 | N1 | C1 | H12 | 60.0° | 23.6° |
C3 | N1 | C1 | H13 | 60.0° | 143.6° |
C3 | N1 | C2 | H14 | 180.0° | 179.7° |
C3 | N1 | C2 | H15 | 60.0° | 59.8° |
C3 | N1 | C2 | H16 | 60.0° | 60.3° |
C5 | C4 | H1 | H2 | 119.3° | 120.7° |
C4 | C5 | H3 | H4 | 118.8° | 120.0° |
N1 | C1 | H11 | H12 | 120.0° | 120.0° |
N1 | C1 | H11 | H13 | 120.0° | 120.0° |
N1 | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | N1 | C2 | H14 | 1.2° | 0.0° |
C1 | N1 | C2 | H15 | 118.8° | 120.0° |
C1 | N1 | C2 | H16 | 121.2° | 119.9° |
C2 | N1 | C1 | H11 | 1.2° | 83.8° |
C2 | N1 | C1 | H12 | 121.2° | 156.2° |
C2 | N1 | C1 | H13 | 118.8° | 36.2° |
N1 | C2 | H14 | H15 | 120.0° | 120.0° |
N1 | C2 | H14 | H16 | 120.0° | 120.0° |
N1 | C2 | H15 | H16 | 120.0° | 120.1° |
H1 | C4 | C5 | H3 | 95.4° | 173.4° |
H1 | C4 | C5 | H4 | 23.8° | 53.4° |
H2 | C4 | C5 | H3 | 24.1° | 52.7° |
H2 | C4 | C5 | H4 | 143.3° | 67.3° |
H7 | C8 | C9 | H17 | 151.4° | 34.6° |
H7 | C8 | C9 | H18 | 29.9° | 87.6° |
H8 | C8 | C9 | H17 | 29.6° | 158.7° |
H8 | C8 | C9 | H18 | 91.8° | 36.6° |
H11 | C1 | H12 | H13 | 120.0° | 120.0° |
H14 | C2 | H15 | H16 | 120.0° | 119.9° |