70V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C2 | C7 | sing | 1.52Å | 1.51Å | |
C2 | C3 | sing | 1.52Å | 1.51Å | |
O9 | C7 | doub | 1.21Å | 1.22Å | |
C7 | C6 | sing | 1.51Å | 1.52Å | |
O8 | C3 | doub | 1.21Å | 1.22Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
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 | |
C4 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C7 | 110.8° | 109.9° |
C1 | C2 | C3 | 111.1° | 109.9° |
C2 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | H2 | 109.4° | 109.5° |
C2 | C1 | H3 | 109.4° | 109.5° |
C1 | C2 | H4 | 107.7° | 109.9° |
C7 | C2 | C3 | 111.1° | 107.4° |
C2 | C7 | O9 | 119.9° | 121.0° |
C2 | C7 | C6 | 120.8° | 118.1° |
C7 | C2 | H4 | 108.0° | 109.8° |
C2 | C3 | O8 | 119.9° | 121.0° |
C2 | C3 | C4 | 120.6° | 118.1° |
C3 | C2 | H4 | 108.0° | 109.9° |
O9 | C7 | C6 | 119.3° | 120.9° |
C7 | C6 | C5 | 112.1° | 109.0° |
C7 | C6 | H9 | 108.8° | 109.5° |
C7 | C6 | H10 | 108.8° | 109.6° |
O8 | C3 | C4 | 119.5° | 120.9° |
C3 | C4 | C5 | 110.4° | 109.0° |
C3 | C4 | H5 | 109.2° | 109.5° |
C3 | C4 | H6 | 109.2° | 109.5° |
C6 | C5 | C4 | 112.8° | 109.6° |
C6 | C5 | H7 | 108.6° | 109.5° |
C6 | C5 | H8 | 108.6° | 109.4° |
C5 | C6 | H9 | 108.8° | 109.6° |
C5 | C6 | H10 | 108.8° | 109.6° |
C5 | C4 | H5 | 109.3° | 109.6° |
C5 | C4 | H6 | 109.3° | 109.7° |
C4 | C5 | H7 | 108.6° | 109.5° |
C4 | C5 | H8 | 108.6° | 109.4° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.5° | 109.4° |
H2 | C1 | H3 | 109.5° | 109.5° |
H5 | C4 | H6 | 109.5° | 109.5° |
H7 | C5 | H8 | 109.5° | 109.5° |
H9 | C6 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C7 | C3 | 124.1° | 119.5° |
C1 | C2 | C7 | H4 | 117.7° | 121.0° |
C1 | C2 | C3 | H4 | 117.9° | 121.0° |
C1 | C2 | C7 | O9 | 96.5° | 106.9° |
C1 | C2 | C7 | C6 | 84.1° | 73.0° |
C1 | C2 | C3 | O8 | 78.0° | 106.9° |
C1 | C2 | C3 | C4 | 102.3° | 73.0° |
C2 | C1 | H1 | H2 | 120.0° | 120.0° |
C2 | C1 | H1 | H3 | 120.0° | 120.0° |
C2 | C1 | H2 | H3 | 119.9° | 120.0° |
C7 | C2 | C3 | H4 | 118.2° | 119.4° |
C2 | C7 | O9 | C6 | 179.4° | 179.9° |
C7 | C2 | C3 | O8 | 158.1° | 133.6° |
C7 | C2 | C3 | C4 | 21.6° | 46.5° |
C2 | C7 | C6 | C5 | 8.8° | 54.8° |
C7 | C2 | C1 | H1 | 180.0° | 60.0° |
C7 | C2 | C1 | H2 | 60.0° | 180.0° |
C7 | C2 | C1 | H3 | 60.0° | 60.0° |
C2 | C7 | C6 | H9 | 129.2° | 65.1° |
C2 | C7 | C6 | H10 | 111.6° | 174.7° |
C3 | C2 | C7 | O9 | 139.5° | 133.6° |
C3 | C2 | C7 | C6 | 40.0° | 46.5° |
C2 | C3 | O8 | C4 | 179.6° | 179.9° |
C2 | C3 | C4 | C5 | 24.8° | 54.8° |
C3 | C2 | C1 | H1 | 55.9° | 178.0° |
C3 | C2 | C1 | H2 | 64.1° | 62.0° |
C3 | C2 | C1 | H3 | 176.0° | 58.0° |
C2 | C3 | C4 | H5 | 145.0° | 65.1° |
C2 | C3 | C4 | H6 | 95.3° | 174.8° |
O9 | C7 | C6 | C5 | 170.6° | 125.3° |
O9 | C7 | C2 | H4 | 21.2° | 14.1° |
O9 | C7 | C6 | H9 | 50.2° | 114.8° |
O9 | C7 | C6 | H10 | 69.0° | 5.3° |
C7 | C6 | C5 | H9 | 120.4° | 119.9° |
C7 | C6 | C5 | H10 | 120.4° | 120.0° |
C7 | C6 | C5 | C4 | 41.2° | 58.3° |
C6 | C7 | C2 | H4 | 158.2° | 166.0° |
C7 | C6 | C5 | H7 | 161.7° | 178.3° |
C7 | C6 | C5 | H8 | 79.2° | 61.7° |
C7 | C6 | H9 | H10 | 118.8° | 120.2° |
O8 | C3 | C4 | C5 | 155.5° | 125.3° |
O8 | C3 | C2 | H4 | 39.8° | 14.1° |
O8 | C3 | C4 | H5 | 35.4° | 114.8° |
O8 | C3 | C4 | H6 | 84.3° | 5.3° |
C3 | C4 | C5 | C6 | 57.8° | 58.3° |
C3 | C4 | C5 | H5 | 120.1° | 119.9° |
C3 | C4 | C5 | H6 | 120.1° | 119.9° |
C4 | C3 | C2 | H4 | 139.8° | 165.9° |
C3 | C4 | H5 | H6 | 119.6° | 120.1° |
C3 | C4 | C5 | H7 | 178.3° | 178.3° |
C3 | C4 | C5 | H8 | 62.7° | 61.7° |
C6 | C5 | C4 | H7 | 120.5° | 120.1° |
C6 | C5 | C4 | H8 | 120.5° | 120.0° |
C6 | C5 | C4 | H5 | 177.9° | 61.6° |
C6 | C5 | C4 | H6 | 62.4° | 178.2° |
C6 | C5 | H7 | H8 | 118.5° | 119.9° |
C5 | C6 | H9 | H10 | 118.8° | 120.2° |
C5 | C4 | H5 | H6 | 119.6° | 120.3° |
C4 | C5 | H7 | H8 | 118.5° | 119.9° |
C4 | C5 | C6 | H9 | 79.1° | 61.6° |
C4 | C5 | C6 | H10 | 161.7° | 178.2° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H1 | C1 | C2 | H4 | 62.1° | 61.0° |
H2 | C1 | C2 | H4 | 177.9° | 59.1° |
H3 | C1 | C2 | H4 | 57.9° | 179.1° |
H5 | C4 | C5 | H7 | 61.6° | 58.5° |
H5 | C4 | C5 | H8 | 57.4° | 178.4° |
H6 | C4 | C5 | H7 | 58.1° | 61.7° |
H6 | C4 | C5 | H8 | 177.2° | 58.2° |
H7 | C5 | C6 | H9 | 41.3° | 58.5° |
H7 | C5 | C6 | H10 | 77.9° | 61.7° |
H8 | C5 | C6 | H9 | 160.4° | 178.4° |
H8 | C5 | C6 | H10 | 41.2° | 58.3° |