ETZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C3 | sing | 1.53Å | 1.48Å | |
C3 | O1 | sing | 1.43Å | 1.48Å | |
O1 | C2 | sing | 1.43Å | 1.43Å | |
C2 | C1 | sing | 1.53Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | C3 | O1 | 109.6° | 109.5° |
C4 | C3 | H6 | 109.4° | 109.5° |
C4 | C3 | H7 | 109.4° | 109.5° |
C3 | C4 | H8 | 109.5° | 109.5° |
C3 | C4 | H9 | 109.5° | 109.5° |
C3 | C4 | H10 | 109.5° | 109.4° |
C3 | O1 | C2 | 104.9° | 114.0° |
O1 | C3 | H6 | 109.4° | 109.4° |
O1 | C3 | H7 | 109.4° | 109.4° |
O1 | C2 | C1 | 109.2° | 109.5° |
O1 | C2 | H4 | 109.5° | 109.4° |
O1 | C2 | H5 | 109.5° | 109.4° |
C2 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | H2 | 109.5° | 109.5° |
C2 | C1 | H3 | 109.5° | 109.4° |
C1 | C2 | H4 | 109.5° | 109.5° |
C1 | C2 | H5 | 109.5° | 109.5° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.4° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.5° |
H4 | C2 | H5 | 109.5° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.5° |
H8 | C4 | H9 | 109.5° | 109.5° |
H8 | C4 | H10 | 109.4° | 109.5° |
H9 | C4 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | C3 | O1 | H6 | 120.0° | 120.0° |
C4 | C3 | O1 | H7 | 120.0° | 120.0° |
C4 | C3 | O1 | C2 | 168.3° | 180.0° |
C4 | C3 | H6 | H7 | 119.9° | 120.1° |
C3 | C4 | H8 | H9 | 120.0° | 120.0° |
C3 | C4 | H8 | H10 | 120.0° | 120.0° |
C3 | C4 | H9 | H10 | 120.0° | 120.0° |
C3 | O1 | C2 | C1 | 175.0° | 180.0° |
C3 | O1 | C2 | H4 | 65.0° | 60.0° |
C3 | O1 | C2 | H5 | 55.0° | 60.0° |
O1 | C3 | H6 | H7 | 119.9° | 119.9° |
O1 | C3 | C4 | H8 | 180.0° | 60.0° |
O1 | C3 | C4 | H9 | 60.0° | 60.0° |
O1 | C3 | C4 | H10 | 60.0° | 180.0° |
O1 | C2 | C1 | H4 | 120.0° | 120.0° |
O1 | C2 | C1 | H5 | 119.9° | 120.0° |
O1 | C2 | C1 | H1 | 180.0° | 60.0° |
O1 | C2 | C1 | H2 | 60.0° | 60.0° |
O1 | C2 | C1 | H3 | 60.0° | 180.0° |
O1 | C2 | H4 | H5 | 120.1° | 119.9° |
C2 | O1 | C3 | H6 | 71.7° | 60.0° |
C2 | O1 | C3 | H7 | 48.3° | 60.0° |
C2 | C1 | H1 | H2 | 120.0° | 120.0° |
C2 | C1 | H1 | H3 | 120.0° | 120.0° |
C2 | C1 | H2 | H3 | 120.0° | 120.0° |
C1 | C2 | H4 | H5 | 120.1° | 120.1° |
H1 | C1 | H2 | H3 | 119.9° | 120.0° |
H1 | C1 | C2 | H4 | 60.0° | 180.0° |
H1 | C1 | C2 | H5 | 60.1° | 60.0° |
H2 | C1 | C2 | H4 | 180.0° | 60.0° |
H2 | C1 | C2 | H5 | 59.9° | 180.0° |
H3 | C1 | C2 | H4 | 60.0° | 60.0° |
H3 | C1 | C2 | H5 | 179.9° | 60.0° |
H6 | C3 | C4 | H8 | 60.0° | 180.0° |
H6 | C3 | C4 | H9 | 60.0° | 60.0° |
H6 | C3 | C4 | H10 | 180.0° | 60.0° |
H7 | C3 | C4 | H8 | 60.0° | 60.0° |
H7 | C3 | C4 | H9 | 180.0° | 180.0° |
H7 | C3 | C4 | H10 | 60.0° | 60.0° |
H8 | C4 | H9 | H10 | 119.9° | 120.0° |