Z9W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | O1 | sing | 1.43Å | 1.47Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | N2 | sing | 1.46Å | 1.47Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N2 | C7 | sing | 1.35Å | 1.33Å | |
C7 | O7 | doub | 1.21Å | 1.23Å | |
C7 | C8 | sing | 1.51Å | 1.53Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | O4 | sing | 1.43Å | 1.46Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
H1 | C1 | O1 | 108.0° | 109.5° |
H1 | C1 | O5 | 108.4° | 109.5° |
H1 | C1 | C2 | 107.1° | 109.4° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O1 | C1 | O5 | 111.1° | 109.5° |
O1 | C1 | C2 | 110.2° | 109.5° |
O5 | C1 | C2 | 111.9° | 109.4° |
C1 | O5 | C5 | 107.5° | 114.1° |
C1 | C2 | H2 | 108.0° | 109.5° |
C1 | C2 | N2 | 109.4° | 109.5° |
C1 | C2 | C3 | 114.4° | 109.2° |
H2 | C2 | N2 | 108.9° | 109.5° |
H2 | C2 | C3 | 108.0° | 109.6° |
C2 | N2 | HN2 | 118.1° | 120.0° |
C2 | N2 | C7 | 123.9° | 120.0° |
N2 | C2 | C3 | 108.0° | 109.6° |
HN2 | N2 | C7 | 118.0° | 120.0° |
N2 | C7 | O7 | 124.5° | 120.0° |
N2 | C7 | C8 | 115.1° | 120.0° |
O7 | C7 | C8 | 120.4° | 120.0° |
C7 | C8 | H81 | 109.5° | 109.4° |
C7 | C8 | H82 | 109.5° | 109.4° |
C7 | C8 | H83 | 109.5° | 109.4° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.4° | 109.5° |
H82 | C8 | H83 | 109.5° | 109.5° |
C2 | C3 | H3 | 107.0° | 109.6° |
C2 | C3 | O3 | 108.2° | 109.5° |
C2 | C3 | C4 | 115.1° | 109.1° |
H3 | C3 | O3 | 108.5° | 109.6° |
H3 | C3 | C4 | 107.1° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O3 | C3 | C4 | 110.7° | 109.5° |
C3 | C4 | H4 | 108.5° | 109.6° |
C3 | C4 | O4 | 114.1° | 109.6° |
C3 | C4 | C5 | 107.0° | 109.1° |
H4 | C4 | O4 | 109.8° | 109.6° |
H4 | C4 | C5 | 108.8° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O4 | C4 | C5 | 108.6° | 109.5° |
C4 | C5 | H5 | 107.4° | 109.5° |
C4 | C5 | O5 | 104.2° | 109.4° |
C4 | C5 | C6 | 116.5° | 109.5° |
H5 | C5 | O5 | 108.4° | 109.4° |
H5 | C5 | C6 | 107.2° | 109.4° |
O5 | C5 | C6 | 112.7° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.4° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.4° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.5° |
H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
H1 | C1 | O1 | O5 | 118.7° | 120.0° |
H1 | C1 | O1 | C2 | 116.7° | 120.0° |
H1 | C1 | O1 | HO1 | 87.8° | 59.9° |
H1 | C1 | O5 | C2 | 117.9° | 119.9° |
H1 | C1 | C2 | H2 | 156.5° | 177.7° |
H1 | C1 | C2 | N2 | 38.0° | 57.6° |
H1 | C1 | C2 | C3 | 83.2° | 62.4° |
H1 | C1 | O5 | C5 | 55.3° | 58.8° |
O1 | C1 | O5 | C2 | 123.6° | 120.0° |
O1 | C1 | C2 | H2 | 39.2° | 57.6° |
O1 | C1 | C2 | N2 | 79.2° | 62.5° |
O1 | C1 | C2 | C3 | 159.5° | 177.6° |
O1 | C1 | O5 | C5 | 173.8° | 178.9° |
HO1 | O1 | C1 | O5 | 153.5° | 60.1° |
HO1 | O1 | C1 | C2 | 29.0° | 179.9° |
O5 | C1 | C2 | H2 | 84.9° | 62.4° |
O5 | C1 | C2 | N2 | 156.6° | 177.5° |
O5 | C1 | C2 | C3 | 35.4° | 57.5° |
C1 | O5 | C5 | C4 | 80.7° | 61.1° |
C1 | O5 | C5 | H5 | 33.5° | 58.9° |
C1 | O5 | C5 | C6 | 152.1° | 178.9° |
C1 | C2 | H2 | N2 | 118.8° | 120.1° |
C1 | C2 | H2 | C3 | 124.2° | 119.7° |
C1 | C2 | N2 | C3 | 125.0° | 119.7° |
C1 | C2 | N2 | HN2 | 101.1° | 95.1° |
C1 | C2 | N2 | C7 | 78.9° | 85.0° |
C1 | C2 | C3 | H3 | 91.4° | 63.0° |
C1 | C2 | C3 | O3 | 151.8° | 176.8° |
C1 | C2 | C3 | C4 | 27.4° | 57.0° |
C2 | C1 | O5 | C5 | 62.6° | 61.1° |
H2 | C2 | N2 | C3 | 117.1° | 120.3° |
H2 | C2 | N2 | HN2 | 140.9° | 144.9° |
H2 | C2 | N2 | C7 | 39.0° | 35.0° |
H2 | C2 | C3 | H3 | 148.3° | 177.2° |
H2 | C2 | C3 | O3 | 31.5° | 57.0° |
H2 | C2 | C3 | C4 | 92.9° | 62.9° |
C2 | N2 | HN2 | C7 | 180.0° | 179.9° |
C2 | N2 | C7 | O7 | 0.6° | 0.0° |
C2 | N2 | C7 | C8 | 179.9° | 180.0° |
N2 | C2 | C3 | H3 | 30.6° | 56.9° |
N2 | C2 | C3 | O3 | 86.1° | 63.2° |
N2 | C2 | C3 | C4 | 149.5° | 176.9° |
HN2 | N2 | C7 | O7 | 179.5° | 179.9° |
HN2 | N2 | C7 | C8 | 0.2° | 0.1° |
HN2 | N2 | C2 | C3 | 23.9° | 24.6° |
N2 | C7 | O7 | C8 | 179.3° | 180.0° |
N2 | C7 | C8 | H81 | 179.3° | 0.0° |
N2 | C7 | C8 | H82 | 60.7° | 120.0° |
N2 | C7 | C8 | H83 | 59.3° | 120.1° |
C7 | N2 | C2 | C3 | 156.1° | 155.3° |
O7 | C7 | C8 | H81 | 0.0° | 180.0° |
O7 | C7 | C8 | H82 | 120.0° | 60.0° |
O7 | C7 | C8 | H83 | 120.0° | 60.0° |
C7 | C8 | H81 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H83 | 120.0° | 120.0° |
C7 | C8 | H82 | H83 | 120.0° | 119.9° |
H81 | C8 | H82 | H83 | 119.9° | 120.1° |
C2 | C3 | H3 | O3 | 116.5° | 120.2° |
C2 | C3 | H3 | C4 | 123.9° | 119.6° |
C2 | C3 | O3 | C4 | 127.0° | 119.6° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | H4 | 73.8° | 62.9° |
C2 | C3 | C4 | O4 | 163.6° | 176.9° |
C2 | C3 | C4 | C5 | 43.5° | 57.0° |
H3 | C3 | O3 | C4 | 117.2° | 120.2° |
H3 | C3 | O3 | HO3 | 64.2° | 59.8° |
H3 | C3 | C4 | H4 | 167.4° | 177.2° |
H3 | C3 | C4 | O4 | 44.7° | 56.9° |
H3 | C3 | C4 | C5 | 75.4° | 62.9° |
O3 | C3 | C4 | H4 | 49.3° | 57.0° |
O3 | C3 | C4 | O4 | 73.4° | 63.3° |
O3 | C3 | C4 | C5 | 166.5° | 176.8° |
HO3 | O3 | C3 | C4 | 53.0° | 60.5° |
C3 | C4 | H4 | O4 | 125.2° | 120.2° |
C3 | C4 | H4 | C5 | 116.1° | 119.7° |
C3 | C4 | O4 | C5 | 119.2° | 119.6° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
C3 | C4 | C5 | H5 | 46.3° | 62.4° |
C3 | C4 | C5 | O5 | 68.6° | 57.6° |
C3 | C4 | C5 | C6 | 166.5° | 177.6° |
H4 | C4 | O4 | C5 | 118.8° | 120.1° |
H4 | C4 | O4 | HO4 | 58.0° | 59.8° |
H4 | C4 | C5 | H5 | 163.3° | 177.7° |
H4 | C4 | C5 | O5 | 48.4° | 62.3° |
H4 | C4 | C5 | C6 | 76.4° | 57.7° |
O4 | C4 | C5 | H5 | 77.3° | 57.5° |
O4 | C4 | C5 | O5 | 167.8° | 177.5° |
O4 | C4 | C5 | C6 | 43.0° | 62.5° |
HO4 | O4 | C4 | C5 | 60.8° | 60.3° |
C4 | C5 | H5 | O5 | 112.1° | 120.0° |
C4 | C5 | H5 | C6 | 125.9° | 120.0° |
C4 | C5 | O5 | C6 | 127.2° | 120.0° |
C4 | C5 | C6 | H61 | 59.6° | 179.9° |
C4 | C5 | C6 | H62 | 60.4° | 60.0° |
C4 | C5 | C6 | H63 | 179.6° | 60.0° |
H5 | C5 | O5 | C6 | 118.6° | 120.0° |
H5 | C5 | C6 | H61 | 60.7° | 60.0° |
H5 | C5 | C6 | H62 | 179.3° | 60.0° |
H5 | C5 | C6 | H63 | 59.3° | 180.0° |
O5 | C5 | C6 | H61 | 180.0° | 59.9° |
O5 | C5 | C6 | H62 | 60.0° | 180.0° |
O5 | C5 | C6 | H63 | 60.0° | 60.0° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |