LXZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.79Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
N2 | C2 | sing | 1.46Å | 1.49Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O3 | C3 | sing | 1.43Å | 1.45Å | |
C3 | C4 | sing | 1.53Å | 1.62Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | O4 | sing | 1.43Å | 1.47Å | |
C4 | C5 | sing | 1.53Å | 1.62Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O5 | C5 | sing | 1.43Å | 1.46Å | |
C5 | C6 | sing | 1.53Å | 1.57Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C8 | C7 | sing | 1.51Å | 1.55Å | |
C7 | O7 | doub | 1.21Å | 1.20Å | |
C7 | N2 | sing | 1.35Å | 1.49Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | O1 | HO1 | 109.5° | 114.0° |
O1 | C1 | C2 | 116.3° | 109.5° |
O1 | C1 | O5 | 109.1° | 109.5° |
O1 | C1 | H1 | 106.3° | 109.5° |
C2 | C1 | O5 | 113.4° | 109.5° |
C2 | C1 | H1 | 101.3° | 109.5° |
C1 | C2 | N2 | 114.8° | 109.5° |
C1 | C2 | C3 | 109.6° | 109.1° |
C1 | C2 | H2 | 105.9° | 109.5° |
O5 | C1 | H1 | 109.7° | 109.5° |
C1 | O5 | C5 | 117.7° | 114.1° |
N2 | C2 | C3 | 110.1° | 109.5° |
N2 | C2 | H2 | 105.3° | 109.6° |
C2 | N2 | C7 | 123.4° | 120.0° |
C2 | N2 | HN2 | 118.3° | 120.0° |
C3 | C2 | H2 | 111.0° | 109.5° |
C2 | C3 | O3 | 106.6° | 109.5° |
C2 | C3 | C4 | 110.7° | 109.0° |
C2 | C3 | H3 | 111.0° | 109.5° |
O3 | C3 | C4 | 110.6° | 109.5° |
O3 | C3 | H3 | 111.0° | 109.7° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 106.9° | 109.5° |
C3 | C4 | O4 | 108.6° | 109.5° |
C3 | C4 | C5 | 115.6° | 109.1° |
C3 | C4 | H4 | 106.1° | 109.5° |
O4 | C4 | C5 | 110.2° | 109.5° |
O4 | C4 | H4 | 112.0° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | H4 | 104.3° | 109.6° |
C4 | C5 | O5 | 117.9° | 109.4° |
C4 | C5 | C6 | 112.3° | 109.4° |
C4 | C5 | H5 | 100.1° | 109.5° |
O5 | C5 | C6 | 106.2° | 109.5° |
O5 | C5 | H5 | 107.1° | 109.5° |
C6 | C5 | H5 | 113.3° | 109.5° |
C5 | C6 | O6 | 110.4° | 109.4° |
C5 | C6 | H61 | 109.1° | 109.5° |
C5 | C6 | H62 | 108.9° | 109.4° |
O6 | C6 | H61 | 109.1° | 109.5° |
O6 | C6 | H62 | 108.9° | 109.5° |
C6 | O6 | HO6 | 109.5° | 113.9° |
H61 | C6 | H62 | 110.3° | 109.5° |
C8 | C7 | O7 | 118.9° | 120.0° |
C8 | C7 | N2 | 120.4° | 120.0° |
C7 | C8 | H81 | 109.5° | 109.5° |
C7 | C8 | H82 | 109.5° | 109.5° |
C7 | C8 | H83 | 109.5° | 109.5° |
O7 | C7 | N2 | 120.5° | 120.0° |
C7 | N2 | HN2 | 118.3° | 120.0° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.5° | 109.4° |
H82 | C8 | H83 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 127.8° | 120.0° |
O1 | C1 | C2 | H1 | 114.7° | 120.0° |
O1 | C1 | O5 | H1 | 116.1° | 120.0° |
O1 | C1 | C2 | N2 | 40.6° | 177.8° |
O1 | C1 | C2 | C3 | 165.1° | 62.4° |
O1 | C1 | C2 | H2 | 75.1° | 57.5° |
O1 | C1 | O5 | C5 | 176.8° | 58.8° |
HO1 | O1 | C1 | C2 | 43.3° | 180.0° |
HO1 | O1 | C1 | O5 | 173.2° | 60.0° |
HO1 | O1 | C1 | H1 | 68.5° | 60.0° |
C2 | C1 | O5 | H1 | 112.4° | 120.0° |
C1 | C2 | N2 | C3 | 124.2° | 119.6° |
C1 | C2 | N2 | H2 | 116.1° | 120.2° |
C1 | C2 | C3 | H2 | 116.6° | 119.9° |
C1 | C2 | C3 | O3 | 173.1° | 62.9° |
C1 | C2 | C3 | C4 | 52.7° | 57.0° |
C1 | C2 | C3 | H3 | 65.9° | 176.8° |
C2 | C1 | O5 | C5 | 51.8° | 61.2° |
C1 | C2 | N2 | C7 | 67.7° | 154.5° |
C1 | C2 | N2 | HN2 | 112.3° | 25.5° |
O5 | C1 | C2 | N2 | 168.4° | 62.3° |
O5 | C1 | C2 | C3 | 67.1° | 57.6° |
O5 | C1 | C2 | H2 | 52.7° | 177.5° |
C1 | O5 | C5 | C4 | 24.2° | 61.2° |
C1 | O5 | C5 | C6 | 102.8° | 178.9° |
C1 | O5 | C5 | H5 | 136.0° | 58.8° |
H1 | C1 | C2 | N2 | 74.1° | 57.8° |
H1 | C1 | C2 | C3 | 50.4° | 177.6° |
H1 | C1 | C2 | H2 | 170.2° | 62.5° |
H1 | C1 | O5 | C5 | 60.7° | 178.8° |
N2 | C2 | C3 | H2 | 116.2° | 120.2° |
N2 | C2 | C3 | O3 | 59.8° | 177.3° |
N2 | C2 | C3 | C4 | 179.8° | 62.9° |
N2 | C2 | C3 | H3 | 61.3° | 56.9° |
C2 | N2 | C7 | C8 | 172.0° | 180.0° |
C2 | N2 | C7 | O7 | 12.9° | 0.0° |
C2 | N2 | C7 | HN2 | 180.0° | 179.9° |
C2 | C3 | O3 | C4 | 120.5° | 119.5° |
C2 | C3 | O3 | H3 | 121.0° | 120.2° |
C2 | C3 | C4 | H3 | 121.0° | 119.8° |
C2 | C3 | C4 | O4 | 152.2° | 62.9° |
C2 | C3 | C4 | C5 | 27.8° | 57.0° |
C2 | C3 | C4 | H4 | 87.2° | 176.9° |
C3 | C2 | N2 | C7 | 56.5° | 85.9° |
C3 | C2 | N2 | HN2 | 123.5° | 94.2° |
C2 | C3 | O3 | HO3 | 106.0° | 180.0° |
H2 | C2 | C3 | O3 | 56.4° | 57.0° |
H2 | C2 | C3 | C4 | 64.0° | 176.9° |
H2 | C2 | C3 | H3 | 177.5° | 63.3° |
H2 | C2 | N2 | C7 | 176.2° | 34.3° |
H2 | C2 | N2 | HN2 | 3.8° | 145.7° |
O3 | C3 | C4 | H3 | 121.0° | 120.3° |
O3 | C3 | C4 | O4 | 89.8° | 177.3° |
O3 | C3 | C4 | C5 | 145.8° | 62.9° |
O3 | C3 | C4 | H4 | 30.7° | 57.1° |
C3 | C4 | O4 | C5 | 127.6° | 119.6° |
C3 | C4 | O4 | H4 | 116.8° | 120.1° |
C3 | C4 | C5 | H4 | 116.1° | 119.9° |
C3 | C4 | C5 | O5 | 12.9° | 57.6° |
C3 | C4 | C5 | C6 | 111.0° | 177.6° |
C3 | C4 | C5 | H5 | 128.5° | 62.4° |
C4 | C3 | O3 | HO3 | 14.4° | 60.5° |
C3 | C4 | O4 | HO4 | 164.5° | 180.0° |
H3 | C3 | C4 | O4 | 31.2° | 57.0° |
H3 | C3 | C4 | C5 | 93.2° | 176.8° |
H3 | C3 | C4 | H4 | 151.7° | 63.2° |
H3 | C3 | O3 | HO3 | 133.0° | 59.7° |
O4 | C4 | C5 | H4 | 120.4° | 120.2° |
O4 | C4 | C5 | O5 | 136.5° | 62.3° |
O4 | C4 | C5 | C6 | 12.6° | 57.8° |
O4 | C4 | C5 | H5 | 107.9° | 177.7° |
C4 | C5 | O5 | C6 | 127.0° | 119.9° |
C4 | C5 | O5 | H5 | 111.8° | 120.0° |
C4 | C5 | C6 | H5 | 112.6° | 120.0° |
C4 | C5 | C6 | O6 | 68.1° | 175.0° |
C4 | C5 | C6 | H61 | 51.9° | 55.0° |
C4 | C5 | C6 | H62 | 172.4° | 65.1° |
C5 | C4 | O4 | HO4 | 36.9° | 60.4° |
H4 | C4 | C5 | O5 | 103.2° | 177.5° |
H4 | C4 | C5 | C6 | 132.9° | 62.5° |
H4 | C4 | C5 | H5 | 12.4° | 57.5° |
H4 | C4 | O4 | HO4 | 78.7° | 59.8° |
O5 | C5 | C6 | H5 | 117.2° | 120.1° |
O5 | C5 | C6 | O6 | 161.7° | 65.0° |
O5 | C5 | C6 | H61 | 78.3° | 175.0° |
O5 | C5 | C6 | H62 | 42.1° | 54.9° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 119.6° | 119.9° |
C5 | C6 | H61 | H62 | 119.6° | 120.0° |
C5 | C6 | O6 | HO6 | 85.3° | 180.0° |
H5 | C5 | C6 | O6 | 44.5° | 55.0° |
H5 | C5 | C6 | H61 | 164.5° | 65.0° |
H5 | C5 | C6 | H62 | 75.1° | 175.0° |
O6 | C6 | H61 | H62 | 119.6° | 120.0° |
H61 | C6 | O6 | HO6 | 154.8° | 60.0° |
H62 | C6 | O6 | HO6 | 34.3° | 60.1° |
C8 | C7 | O7 | N2 | 175.2° | 180.0° |
C7 | C8 | H81 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H83 | 120.0° | 120.0° |
C7 | C8 | H82 | H83 | 120.0° | 120.0° |
C8 | C7 | N2 | HN2 | 8.0° | 0.0° |
O7 | C7 | C8 | H81 | 43.2° | 0.0° |
O7 | C7 | C8 | H82 | 163.2° | 120.0° |
O7 | C7 | C8 | H83 | 76.8° | 120.0° |
O7 | C7 | N2 | HN2 | 167.1° | 180.0° |
N2 | C7 | C8 | H81 | 141.6° | 180.0° |
N2 | C7 | C8 | H82 | 21.6° | 60.0° |
N2 | C7 | C8 | H83 | 98.4° | 60.0° |
H81 | C8 | H82 | H83 | 120.0° | 119.9° |