2V7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C12 | sing | 1.43Å | 1.42Å | |
O01 | C02 | sing | 1.36Å | 1.38Å | |
C01 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
C01 | C06 | sing | 1.36Å | 1.38Å | Aromatic |
C02 | C03 | sing | 1.37Å | 1.40Å | Aromatic |
C06 | C05 | doub | 1.41Å | 1.39Å | Aromatic |
C03 | C04 | doub | 1.40Å | 1.42Å | Aromatic |
C05 | C04 | sing | 1.42Å | 1.41Å | Aromatic |
C05 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
C04 | C07 | sing | 1.41Å | 1.39Å | Aromatic |
C10 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
C07 | C08 | doub | 1.36Å | 1.40Å | Aromatic |
C09 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
C09 | C11 | sing | 1.51Å | 1.45Å | |
C11 | C13 | sing | 1.53Å | 1.53Å | |
C11 | O02 | sing | 1.43Å | 1.44Å | |
C13 | O03 | sing | 1.43Å | 1.43Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C14 | H1 | sing | 1.09Å | 1.10Å | |
C14 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
O03 | H5 | sing | 0.97Å | 0.95Å | |
C11 | H6 | sing | 1.09Å | 1.10Å | |
O02 | H7 | sing | 0.97Å | 0.95Å | |
C10 | H8 | sing | 1.08Å | 1.08Å | |
C06 | H9 | sing | 1.08Å | 1.08Å | |
C01 | H10 | sing | 1.08Å | 1.08Å | |
C12 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C03 | H14 | sing | 1.08Å | 1.08Å | |
C07 | H15 | sing | 1.08Å | 1.08Å | |
C08 | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | O01 | C02 | 116.5° | 117.0° |
O01 | C12 | H11 | 109.5° | 109.5° |
O01 | C12 | H12 | 109.5° | 109.5° |
O01 | C12 | H13 | 109.5° | 109.5° |
O01 | C02 | C01 | 115.7° | 119.5° |
O01 | C02 | C03 | 125.5° | 119.6° |
C02 | C01 | C06 | 122.7° | 120.9° |
C01 | C02 | C03 | 118.7° | 120.9° |
C02 | C01 | H10 | 118.7° | 119.6° |
C01 | C06 | C05 | 119.4° | 119.7° |
C01 | C06 | H9 | 120.3° | 120.2° |
C06 | C01 | H10 | 118.7° | 119.5° |
C02 | C03 | C04 | 118.9° | 119.6° |
C02 | C03 | H14 | 120.6° | 120.2° |
C06 | C05 | C04 | 119.3° | 119.4° |
C06 | C05 | C10 | 119.0° | 121.2° |
C05 | C06 | H9 | 120.3° | 120.1° |
C03 | C04 | C05 | 121.0° | 119.4° |
C03 | C04 | C07 | 121.4° | 121.2° |
C04 | C03 | H14 | 120.5° | 120.2° |
C04 | C05 | C10 | 121.7° | 119.3° |
C05 | C04 | C07 | 117.6° | 119.4° |
C05 | C10 | C09 | 120.8° | 119.7° |
C05 | C10 | H8 | 119.6° | 120.1° |
C04 | C07 | C08 | 120.6° | 119.6° |
C04 | C07 | H15 | 119.7° | 120.2° |
C10 | C09 | C08 | 117.3° | 121.1° |
C10 | C09 | C11 | 120.8° | 119.5° |
C09 | C10 | H8 | 119.6° | 120.2° |
C07 | C08 | C09 | 122.0° | 121.0° |
C08 | C07 | H15 | 119.7° | 120.2° |
C07 | C08 | H16 | 119.0° | 119.4° |
C08 | C09 | C11 | 121.8° | 119.4° |
C09 | C08 | H16 | 119.0° | 119.6° |
C09 | C11 | C13 | 118.5° | 109.5° |
C09 | C11 | O02 | 108.6° | 109.5° |
C09 | C11 | H6 | 106.6° | 109.4° |
C13 | C11 | O02 | 110.0° | 109.5° |
C11 | C13 | O03 | 108.0° | 109.5° |
C11 | C13 | C14 | 113.6° | 109.5° |
C11 | C13 | H4 | 108.4° | 109.4° |
C13 | C11 | H6 | 105.7° | 109.5° |
O02 | C11 | H6 | 106.7° | 109.5° |
C11 | O02 | H7 | 109.5° | 114.0° |
O03 | C13 | C14 | 108.8° | 109.5° |
O03 | C13 | H4 | 109.8° | 109.5° |
C13 | O03 | H5 | 109.5° | 114.0° |
C13 | C14 | H1 | 109.5° | 109.4° |
C13 | C14 | H2 | 109.5° | 109.5° |
C13 | C14 | H3 | 109.5° | 109.5° |
C14 | C13 | H4 | 108.3° | 109.5° |
H1 | C14 | H2 | 109.4° | 109.5° |
H1 | C14 | H3 | 109.5° | 109.5° |
H2 | C14 | H3 | 109.4° | 109.5° |
H11 | C12 | H12 | 109.4° | 109.5° |
H11 | C12 | H13 | 109.5° | 109.5° |
H12 | C12 | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | O01 | C02 | C01 | 179.6° | 0.0° |
C12 | O01 | C02 | C03 | 0.8° | 180.0° |
O01 | C12 | H11 | H12 | 120.0° | 120.0° |
O01 | C12 | H11 | H13 | 120.0° | 120.0° |
O01 | C12 | H12 | H13 | 120.0° | 120.0° |
O01 | C02 | C01 | C03 | 179.6° | 180.0° |
O01 | C02 | C01 | C06 | 178.4° | 180.0° |
O01 | C02 | C03 | C04 | 179.5° | 180.0° |
O01 | C02 | C01 | H10 | 1.6° | 0.0° |
C02 | O01 | C12 | H11 | 180.0° | 180.0° |
C02 | O01 | C12 | H12 | 60.0° | 60.0° |
C02 | O01 | C12 | H13 | 60.0° | 60.0° |
O01 | C02 | C03 | H14 | 0.5° | 0.1° |
C02 | C01 | C06 | H10 | 180.0° | 179.9° |
C02 | C01 | C06 | C05 | 1.3° | 0.1° |
C01 | C02 | C03 | C04 | 1.0° | 0.0° |
C02 | C01 | C06 | H9 | 178.7° | 179.9° |
C01 | C02 | C03 | H14 | 179.0° | 179.9° |
C06 | C01 | C02 | C03 | 2.0° | 0.0° |
C01 | C06 | C05 | H9 | 180.0° | 179.9° |
C01 | C06 | C05 | C04 | 0.4° | 0.1° |
C01 | C06 | C05 | C10 | 179.2° | 180.0° |
C02 | C03 | C04 | H14 | 180.0° | 179.9° |
C02 | C03 | C04 | C05 | 0.7° | 0.1° |
C02 | C03 | C04 | C07 | 178.7° | 180.0° |
C03 | C02 | C01 | H10 | 178.0° | 180.0° |
C06 | C05 | C04 | C03 | 1.4° | 0.0° |
C06 | C05 | C04 | C10 | 178.7° | 180.0° |
C06 | C05 | C04 | C07 | 179.5° | 180.0° |
C06 | C05 | C10 | C09 | 179.0° | 180.0° |
C06 | C05 | C10 | H8 | 1.0° | 0.1° |
C05 | C06 | C01 | H10 | 178.8° | 180.0° |
C03 | C04 | C05 | C07 | 178.1° | 180.0° |
C03 | C04 | C05 | C10 | 179.9° | 180.0° |
C03 | C04 | C07 | C08 | 179.7° | 179.9° |
C03 | C04 | C07 | H15 | 0.3° | 0.0° |
C04 | C05 | C10 | C09 | 0.3° | 0.0° |
C05 | C04 | C07 | C08 | 2.2° | 0.0° |
C04 | C05 | C10 | H8 | 179.7° | 180.0° |
C04 | C05 | C06 | H9 | 179.6° | 179.9° |
C05 | C04 | C03 | H14 | 179.3° | 179.9° |
C05 | C04 | C07 | H15 | 177.8° | 179.9° |
C10 | C05 | C04 | C07 | 1.8° | 0.0° |
C05 | C10 | C09 | H8 | 180.0° | 179.9° |
C05 | C10 | C09 | C08 | 0.7° | 0.0° |
C05 | C10 | C09 | C11 | 176.2° | 179.7° |
C10 | C05 | C06 | H9 | 0.8° | 0.1° |
C04 | C07 | C08 | H15 | 180.0° | 179.9° |
C04 | C07 | C08 | C09 | 1.2° | 0.1° |
C07 | C04 | C03 | H14 | 1.3° | 0.1° |
C04 | C07 | C08 | H16 | 178.8° | 179.7° |
C10 | C09 | C08 | C07 | 0.3° | 0.1° |
C10 | C09 | C08 | C11 | 175.4° | 179.7° |
C10 | C09 | C11 | C13 | 51.7° | 100.3° |
C10 | C09 | C11 | O02 | 178.1° | 139.7° |
C10 | C09 | C11 | H6 | 67.2° | 19.7° |
C10 | C09 | C08 | H16 | 179.7° | 179.7° |
C07 | C08 | C09 | H16 | 180.0° | 179.8° |
C07 | C08 | C09 | C11 | 175.7° | 179.7° |
C08 | C09 | C11 | C13 | 133.0° | 80.0° |
C08 | C09 | C11 | O02 | 6.6° | 40.0° |
C08 | C09 | C11 | H6 | 108.1° | 160.0° |
C08 | C09 | C10 | H8 | 179.2° | 180.0° |
C09 | C08 | C07 | H15 | 178.8° | 180.0° |
C09 | C11 | C13 | O02 | 125.8° | 120.0° |
C09 | C11 | C13 | H6 | 119.4° | 120.0° |
C09 | C11 | O02 | H6 | 114.6° | 120.0° |
C09 | C11 | C13 | O03 | 61.8° | 55.0° |
C09 | C11 | C13 | C14 | 177.4° | 175.1° |
C09 | C11 | C13 | H4 | 57.0° | 65.0° |
C09 | C11 | O02 | H7 | 180.0° | 60.0° |
C11 | C09 | C10 | H8 | 3.8° | 0.4° |
C11 | C09 | C08 | H16 | 4.3° | 0.0° |
C13 | C11 | O02 | H6 | 114.2° | 120.0° |
C11 | C13 | O03 | C14 | 123.7° | 120.0° |
C11 | C13 | O03 | H4 | 118.0° | 120.0° |
C11 | C13 | C14 | H4 | 120.5° | 120.0° |
C11 | C13 | C14 | H1 | 180.0° | 60.0° |
C11 | C13 | C14 | H2 | 60.0° | 60.0° |
C11 | C13 | C14 | H3 | 60.0° | 180.0° |
C11 | C13 | O03 | H5 | 180.0° | 60.0° |
C13 | C11 | O02 | H7 | 48.8° | 60.0° |
O02 | C11 | C13 | O03 | 63.9° | 65.0° |
O02 | C11 | C13 | C14 | 56.8° | 55.0° |
O02 | C11 | C13 | H4 | 177.2° | 175.0° |
O03 | C13 | C14 | H4 | 119.2° | 120.0° |
O03 | C13 | C14 | H1 | 59.7° | 60.0° |
O03 | C13 | C14 | H2 | 60.3° | 180.0° |
O03 | C13 | C14 | H3 | 179.8° | 60.0° |
O03 | C13 | C11 | H6 | 178.7° | 175.0° |
C13 | C14 | H1 | H2 | 120.0° | 120.0° |
C13 | C14 | H1 | H3 | 120.0° | 120.0° |
C13 | C14 | H2 | H3 | 120.0° | 120.0° |
C14 | C13 | O03 | H5 | 56.3° | 60.0° |
C14 | C13 | C11 | H6 | 58.0° | 65.0° |
H1 | C14 | H2 | H3 | 120.0° | 120.0° |
H1 | C14 | C13 | H4 | 59.5° | 180.0° |
H2 | C14 | C13 | H4 | 179.5° | 60.0° |
H3 | C14 | C13 | H4 | 60.5° | 60.0° |
H4 | C13 | O03 | H5 | 62.0° | 180.0° |
H4 | C13 | C11 | H6 | 62.4° | 55.0° |
H6 | C11 | O02 | H7 | 65.4° | 180.0° |
H9 | C06 | C01 | H10 | 1.3° | 0.1° |
H11 | C12 | H12 | H13 | 120.0° | 120.0° |
H15 | C07 | C08 | H16 | 1.2° | 0.2° |