Z4Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.43Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
O5 | C5 | sing | 1.43Å | 1.47Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C6 | S6 | sing | 1.81Å | 1.81Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C4 | C3 | sing | 1.53Å | 1.56Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C2 | sing | 1.53Å | 1.56Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
S6 | HS6 | sing | 1.34Å | 1.30Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
HO1 | O1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O5 | 107.2° | 109.4° |
O1 | C1 | C2 | 109.7° | 109.5° |
O1 | C1 | H1 | 110.4° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O5 | C1 | C2 | 110.6° | 109.5° |
C1 | O5 | C5 | 111.7° | 114.1° |
O5 | C1 | H1 | 110.0° | 109.5° |
C1 | C2 | C3 | 110.9° | 109.2° |
C1 | C2 | O2 | 109.8° | 109.5° |
C2 | C1 | H1 | 108.8° | 109.5° |
C1 | C2 | H2 | 107.7° | 109.6° |
O5 | C5 | C6 | 112.1° | 109.5° |
O5 | C5 | C4 | 107.9° | 109.4° |
O5 | C5 | H5 | 106.0° | 109.5° |
C6 | C5 | C4 | 119.4° | 109.5° |
C5 | C6 | S6 | 114.3° | 109.5° |
C6 | C5 | H5 | 105.2° | 109.5° |
C5 | C6 | H61 | 108.2° | 109.5° |
C5 | C6 | H62 | 108.2° | 109.5° |
C5 | C4 | O4 | 108.4° | 109.5° |
C5 | C4 | C3 | 106.2° | 109.2° |
C4 | C5 | H5 | 105.2° | 109.5° |
C5 | C4 | H4 | 107.8° | 109.5° |
S6 | C6 | H61 | 108.2° | 109.4° |
S6 | C6 | H62 | 108.3° | 109.5° |
C6 | S6 | HS6 | 102.0° | 103.0° |
O4 | C4 | C3 | 117.6° | 109.6° |
O4 | C4 | H4 | 108.9° | 109.5° |
C4 | O4 | HO4 | 109.5° | 113.9° |
C4 | C3 | O3 | 114.2° | 109.6° |
C4 | C3 | C2 | 109.7° | 109.1° |
C3 | C4 | H4 | 107.5° | 109.6° |
C4 | C3 | H3 | 106.5° | 109.5° |
O3 | C3 | C2 | 111.6° | 109.6° |
O3 | C3 | H3 | 107.9° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C2 | O2 | 111.8° | 109.5° |
C2 | C3 | H3 | 106.6° | 109.5° |
C3 | C2 | H2 | 107.5° | 109.5° |
O2 | C2 | H2 | 109.0° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O5 | C2 | 119.6° | 120.0° |
O1 | C1 | O5 | H1 | 120.1° | 120.0° |
O1 | C1 | C2 | H1 | 120.9° | 120.0° |
O1 | C1 | O5 | C5 | 60.0° | 58.9° |
O1 | C1 | C2 | C3 | 66.4° | 62.4° |
O1 | C1 | C2 | O2 | 169.5° | 177.8° |
O1 | C1 | C2 | H2 | 51.0° | 57.6° |
O5 | C1 | C2 | H1 | 121.0° | 120.0° |
C1 | O5 | C5 | C6 | 159.0° | 178.9° |
C1 | O5 | C5 | C4 | 67.5° | 61.1° |
O5 | C1 | C2 | C3 | 51.7° | 57.5° |
O5 | C1 | C2 | O2 | 72.4° | 62.3° |
C1 | O5 | C5 | H5 | 44.8° | 58.9° |
O5 | C1 | C2 | H2 | 169.1° | 177.5° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
C2 | C1 | O5 | C5 | 59.6° | 61.1° |
C1 | C2 | C3 | C4 | 53.0° | 56.9° |
C1 | C2 | C3 | O3 | 179.4° | 176.8° |
C1 | C2 | C3 | O2 | 122.9° | 119.9° |
C1 | C2 | C3 | H2 | 117.5° | 120.0° |
C1 | C2 | O2 | H2 | 117.7° | 120.2° |
C1 | C2 | C3 | H3 | 61.9° | 63.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C2 | C1 | O1 | HO1 | 59.8° | 180.0° |
O5 | C5 | C6 | C4 | 127.6° | 120.0° |
O5 | C5 | C6 | H5 | 114.7° | 120.0° |
O5 | C5 | C4 | H5 | 112.8° | 120.0° |
O5 | C5 | C6 | S6 | 81.9° | 65.0° |
O5 | C5 | C4 | O4 | 167.0° | 177.5° |
O5 | C5 | C4 | C3 | 65.7° | 57.6° |
C5 | O5 | C1 | H1 | 179.9° | 178.9° |
O5 | C5 | C6 | H61 | 38.8° | 175.1° |
O5 | C5 | C6 | H62 | 157.4° | 55.0° |
O5 | C5 | C4 | H4 | 49.3° | 62.4° |
C6 | C5 | C4 | H5 | 117.7° | 120.0° |
C5 | C6 | S6 | H61 | 120.7° | 120.0° |
C5 | C6 | S6 | H62 | 120.7° | 120.0° |
C6 | C5 | C4 | O4 | 37.6° | 62.5° |
C6 | C5 | C4 | C3 | 164.8° | 177.6° |
C5 | C6 | H61 | H62 | 117.8° | 120.0° |
C5 | C6 | S6 | HS6 | 180.0° | 179.9° |
C6 | C5 | C4 | H4 | 80.1° | 57.6° |
C4 | C5 | C6 | S6 | 45.7° | 175.0° |
C5 | C4 | O4 | C3 | 120.4° | 119.7° |
C5 | C4 | O4 | H4 | 117.0° | 120.1° |
C5 | C4 | C3 | H4 | 115.2° | 119.9° |
C5 | C4 | C3 | O3 | 174.6° | 176.8° |
C5 | C4 | C3 | C2 | 59.3° | 56.9° |
C4 | C5 | C6 | H61 | 166.4° | 55.1° |
C4 | C5 | C6 | H62 | 75.1° | 65.0° |
C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
C5 | C4 | C3 | H3 | 55.6° | 63.0° |
S6 | C6 | C5 | H5 | 163.4° | 55.0° |
S6 | C6 | H61 | H62 | 117.8° | 120.0° |
O4 | C4 | C3 | H4 | 123.3° | 120.2° |
O4 | C4 | C3 | O3 | 53.1° | 63.2° |
O4 | C4 | C3 | C2 | 179.2° | 176.8° |
O4 | C4 | C5 | H5 | 80.1° | 57.5° |
O4 | C4 | C3 | H3 | 65.9° | 57.0° |
C4 | C3 | O3 | C2 | 125.1° | 119.6° |
C4 | C3 | O3 | H3 | 118.2° | 120.2° |
C4 | C3 | C2 | H3 | 114.9° | 119.9° |
C4 | C3 | C2 | O2 | 69.9° | 62.9° |
C3 | C4 | C5 | H5 | 47.1° | 62.4° |
C3 | C4 | O4 | HO4 | 59.6° | 60.3° |
C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
C4 | C3 | C2 | H2 | 170.4° | 176.9° |
O3 | C3 | C2 | H3 | 117.5° | 120.2° |
O3 | C3 | C2 | O2 | 57.7° | 57.0° |
O3 | C3 | C4 | H4 | 70.2° | 57.0° |
O3 | C3 | C2 | H2 | 62.0° | 63.2° |
C3 | C2 | O2 | H2 | 118.7° | 120.2° |
C3 | C2 | C1 | H1 | 172.7° | 177.6° |
C2 | C3 | C4 | H4 | 55.9° | 63.0° |
C2 | C3 | O3 | HO3 | 54.9° | 60.3° |
C3 | C2 | O2 | HO2 | 56.5° | 179.7° |
O2 | C2 | C1 | H1 | 48.6° | 57.7° |
O2 | C2 | C3 | H3 | 175.2° | 177.2° |
H1 | C1 | C2 | H2 | 70.0° | 62.5° |
H1 | C1 | O1 | HO1 | 60.1° | 60.0° |
H5 | C5 | C6 | H61 | 75.9° | 65.0° |
H5 | C5 | C6 | H62 | 42.6° | 175.0° |
H5 | C5 | C4 | H4 | 162.1° | 177.6° |
H61 | C6 | S6 | HS6 | 59.3° | 60.0° |
H62 | C6 | S6 | HS6 | 59.3° | 60.0° |
H4 | C4 | O4 | HO4 | 63.0° | 59.9° |
H4 | C4 | C3 | H3 | 170.8° | 177.2° |
H3 | C3 | O3 | HO3 | 61.8° | 59.8° |
H3 | C3 | C2 | H2 | 55.6° | 57.0° |
H2 | C2 | O2 | HO2 | 62.3° | 60.1° |