G7V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C16 | C15 | sing | 1.51Å | 1.52Å | |
O17 | C15 | doub | 1.21Å | 1.21Å | |
C01 | C12 | sing | 1.53Å | 1.54Å | |
C15 | N01 | sing | 1.35Å | 1.41Å | |
C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
C21 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
N01 | C18 | sing | 1.40Å | 1.46Å | |
N01 | C12 | sing | 1.47Å | 1.46Å | |
C18 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
C12 | C11 | sing | 1.53Å | 1.52Å | |
C1 | C24 | sing | 1.41Å | 1.38Å | Aromatic |
C1 | C2 | doub | 1.35Å | 1.37Å | Aromatic |
C23 | C24 | sing | 1.48Å | 1.50Å | |
C23 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
C24 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | N4 | sing | 1.35Å | 1.32Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
C19 | C10 | sing | 1.51Å | 1.56Å | |
C11 | C10 | sing | 1.53Å | 1.52Å | |
N3 | N4 | sing | 1.40Å | 1.36Å | Aromatic |
C10 | N09 | sing | 1.46Å | 1.43Å | |
N09 | C08 | sing | 1.39Å | 1.44Å | |
C07 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
C08 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
C06 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
C03 | C13 | sing | 1.43Å | 1.51Å | |
C13 | N14 | trip | 1.14Å | 1.13Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C16 | H7 | sing | 1.09Å | 1.10Å | |
C16 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H8 | sing | 1.09Å | 1.10Å | |
C20 | H10 | sing | 1.08Å | 1.08Å | |
C21 | H11 | sing | 1.08Å | 1.08Å | |
C22 | H12 | sing | 1.08Å | 1.08Å | |
C01 | H13 | sing | 1.09Å | 1.10Å | |
C01 | H14 | sing | 1.09Å | 1.10Å | |
C01 | H15 | sing | 1.09Å | 1.10Å | |
C04 | H16 | sing | 1.08Å | 1.08Å | |
C05 | H17 | sing | 1.08Å | 1.08Å | |
C06 | H18 | sing | 1.08Å | 1.08Å | |
C07 | H19 | sing | 1.08Å | 1.08Å | |
N09 | H20 | sing | 0.97Å | 1.00Å | |
N4 | H21 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C16 | C15 | O17 | 121.8° | 120.0° |
C16 | C15 | N01 | 119.7° | 120.0° |
C15 | C16 | H7 | 109.5° | 109.4° |
C15 | C16 | H9 | 109.5° | 109.5° |
C15 | C16 | H8 | 109.4° | 109.4° |
O17 | C15 | N01 | 118.6° | 120.0° |
C01 | C12 | N01 | 110.2° | 109.8° |
C01 | C12 | C11 | 112.4° | 109.8° |
C01 | C12 | H6 | 106.8° | 109.8° |
C12 | C01 | H13 | 109.5° | 109.4° |
C12 | C01 | H14 | 109.5° | 109.5° |
C12 | C01 | H15 | 109.5° | 109.5° |
C15 | N01 | C18 | 124.5° | 120.5° |
C15 | N01 | C12 | 116.9° | 120.6° |
C22 | C21 | C18 | 119.2° | 120.3° |
C21 | C22 | C23 | 119.8° | 119.7° |
C22 | C21 | H11 | 120.4° | 119.8° |
C21 | C22 | H12 | 120.1° | 120.2° |
C21 | C18 | N01 | 123.4° | 119.0° |
C21 | C18 | C19 | 120.5° | 120.2° |
C18 | C21 | H11 | 120.4° | 119.9° |
C22 | C23 | C24 | 119.6° | 120.0° |
C22 | C23 | C20 | 121.2° | 119.9° |
C23 | C22 | H12 | 120.1° | 120.1° |
C18 | N01 | C12 | 118.6° | 118.9° |
N01 | C18 | C19 | 116.0° | 120.8° |
N01 | C12 | C11 | 112.3° | 107.8° |
N01 | C12 | H6 | 107.8° | 109.8° |
C18 | C19 | C20 | 121.3° | 119.7° |
C18 | C19 | C10 | 115.4° | 121.5° |
C12 | C11 | C10 | 110.0° | 108.8° |
C12 | C11 | H5 | 109.3° | 109.6° |
C12 | C11 | H4 | 109.3° | 109.7° |
C11 | C12 | H6 | 107.0° | 109.8° |
C24 | C1 | C2 | 106.1° | 107.8° |
C1 | C24 | C23 | 128.6° | 126.0° |
C1 | C24 | N3 | 108.9° | 107.9° |
C24 | C1 | H1 | 127.0° | 126.1° |
C1 | C2 | N4 | 108.4° | 108.0° |
C2 | C1 | H1 | 127.0° | 126.0° |
C1 | C2 | H2 | 125.8° | 126.0° |
C24 | C23 | C20 | 119.2° | 120.0° |
C23 | C24 | N3 | 122.5° | 126.1° |
C23 | C20 | C19 | 118.1° | 120.2° |
C23 | C20 | H10 | 120.9° | 119.9° |
C24 | N3 | N4 | 107.1° | 108.2° |
C2 | N4 | N3 | 109.5° | 108.1° |
N4 | C2 | H2 | 125.8° | 126.0° |
C2 | N4 | H21 | 125.2° | 125.9° |
C20 | C19 | C10 | 123.2° | 118.8° |
C19 | C20 | H10 | 120.9° | 119.9° |
C19 | C10 | C11 | 104.9° | 110.5° |
C19 | C10 | N09 | 111.8° | 109.3° |
C19 | C10 | H3 | 108.8° | 109.2° |
C11 | C10 | N09 | 111.3° | 109.3° |
C11 | C10 | H3 | 109.3° | 109.3° |
C10 | C11 | H5 | 109.3° | 109.6° |
C10 | C11 | H4 | 109.4° | 109.5° |
N3 | N4 | H21 | 125.2° | 126.0° |
C10 | N09 | C08 | 120.6° | 120.0° |
N09 | C10 | H3 | 110.5° | 109.2° |
C10 | N09 | H20 | 106.6° | 120.0° |
N09 | C08 | C07 | 121.4° | 119.9° |
N09 | C08 | C05 | 118.7° | 119.9° |
C08 | N09 | H20 | 106.6° | 120.0° |
C08 | C07 | C06 | 120.5° | 120.0° |
C07 | C08 | C05 | 119.9° | 120.2° |
C08 | C07 | H19 | 119.7° | 119.9° |
C07 | C06 | C03 | 119.7° | 120.0° |
C07 | C06 | H18 | 120.2° | 120.0° |
C06 | C07 | H19 | 119.8° | 120.0° |
C08 | C05 | C04 | 119.8° | 120.0° |
C08 | C05 | H17 | 120.1° | 120.0° |
C06 | C03 | C04 | 119.9° | 119.8° |
C06 | C03 | C13 | 119.0° | 120.1° |
C03 | C06 | H18 | 120.1° | 120.0° |
C05 | C04 | C03 | 120.2° | 120.0° |
C05 | C04 | H16 | 119.9° | 120.1° |
C04 | C05 | H17 | 120.1° | 120.0° |
C04 | C03 | C13 | 121.2° | 120.1° |
C03 | C04 | H16 | 119.9° | 120.0° |
C03 | C13 | N14 | 179.4° | 179.9° |
H5 | C11 | H4 | 109.5° | 109.6° |
H7 | C16 | H9 | 109.5° | 109.5° |
H7 | C16 | H8 | 109.5° | 109.5° |
H9 | C16 | H8 | 109.5° | 109.5° |
H13 | C01 | H14 | 109.4° | 109.5° |
H13 | C01 | H15 | 109.5° | 109.4° |
H14 | C01 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C16 | C15 | O17 | N01 | 179.0° | 180.0° |
C16 | C15 | N01 | C18 | 3.2° | 162.2° |
C16 | C15 | N01 | C12 | 177.2° | 17.8° |
C15 | C16 | H7 | H9 | 120.0° | 120.0° |
C15 | C16 | H7 | H8 | 120.0° | 119.9° |
C15 | C16 | H9 | H8 | 120.0° | 120.0° |
O17 | C15 | N01 | C18 | 177.8° | 17.8° |
O17 | C15 | N01 | C12 | 1.8° | 162.2° |
O17 | C15 | C16 | H7 | 0.0° | 127.3° |
O17 | C15 | C16 | H9 | 120.0° | 7.3° |
O17 | C15 | C16 | H8 | 120.0° | 112.8° |
C01 | C12 | N01 | C15 | 79.5° | 15.7° |
C01 | C12 | N01 | C18 | 100.1° | 164.3° |
C01 | C12 | N01 | C11 | 126.2° | 119.6° |
C01 | C12 | N01 | H6 | 116.2° | 120.8° |
C01 | C12 | C11 | H6 | 116.9° | 120.8° |
C01 | C12 | C11 | C10 | 153.2° | 177.1° |
C01 | C12 | C11 | H5 | 86.7° | 63.1° |
C01 | C12 | C11 | H4 | 33.1° | 57.3° |
C12 | C01 | H13 | H14 | 120.0° | 120.1° |
C12 | C01 | H13 | H15 | 120.0° | 119.9° |
C12 | C01 | H14 | H15 | 120.0° | 120.0° |
C15 | N01 | C18 | C21 | 45.6° | 13.3° |
C15 | N01 | C18 | C12 | 179.6° | 180.0° |
C15 | N01 | C18 | C19 | 138.5° | 166.4° |
C15 | N01 | C12 | C11 | 154.3° | 135.3° |
C15 | N01 | C12 | H6 | 36.7° | 105.1° |
N01 | C15 | C16 | H7 | 179.0° | 52.8° |
N01 | C15 | C16 | H9 | 59.0° | 172.7° |
N01 | C15 | C16 | H8 | 61.0° | 67.2° |
C22 | C21 | C18 | H11 | 180.0° | 180.0° |
C21 | C22 | C23 | H12 | 180.0° | 180.0° |
C22 | C21 | C18 | N01 | 177.5° | 179.6° |
C22 | C21 | C18 | C19 | 1.8° | 0.1° |
C21 | C22 | C23 | C24 | 179.2° | 180.0° |
C21 | C22 | C23 | C20 | 0.5° | 0.1° |
C18 | C21 | C22 | C23 | 1.6° | 0.0° |
C21 | C18 | N01 | C19 | 175.8° | 179.7° |
C21 | C18 | N01 | C12 | 133.9° | 166.7° |
C21 | C18 | C19 | C20 | 1.0° | 0.2° |
C21 | C18 | C19 | C10 | 176.3° | 179.7° |
C18 | C21 | C22 | H12 | 178.4° | 180.0° |
C22 | C23 | C24 | C1 | 19.1° | 4.9° |
C22 | C23 | C24 | C20 | 179.6° | 179.9° |
C22 | C23 | C24 | N3 | 158.9° | 175.0° |
C22 | C23 | C20 | C19 | 0.4° | 0.0° |
C22 | C23 | C20 | H10 | 179.6° | 180.0° |
C23 | C22 | C21 | H11 | 178.5° | 180.0° |
C18 | N01 | C12 | C11 | 26.1° | 44.7° |
N01 | C18 | C19 | C20 | 176.9° | 179.5° |
N01 | C18 | C19 | C10 | 0.4° | 0.6° |
C18 | N01 | C12 | H6 | 143.7° | 74.9° |
N01 | C18 | C21 | H11 | 2.5° | 0.5° |
C12 | N01 | C18 | C19 | 41.9° | 13.6° |
N01 | C12 | C11 | H6 | 118.1° | 119.6° |
N01 | C12 | C11 | C10 | 28.2° | 63.3° |
N01 | C12 | C11 | H5 | 148.3° | 56.6° |
N01 | C12 | C11 | H4 | 91.9° | 176.9° |
N01 | C12 | C01 | H13 | 180.0° | 173.9° |
N01 | C12 | C01 | H14 | 60.0° | 66.1° |
N01 | C12 | C01 | H15 | 60.0° | 54.0° |
C18 | C19 | C20 | C23 | 0.1° | 0.1° |
C18 | C19 | C20 | C10 | 177.1° | 179.9° |
C18 | C19 | C10 | C11 | 51.9° | 20.8° |
C18 | C19 | C10 | N09 | 172.6° | 141.0° |
C18 | C19 | C10 | H3 | 65.0° | 99.5° |
C18 | C19 | C20 | H10 | 179.9° | 179.9° |
C19 | C18 | C21 | H11 | 178.2° | 179.8° |
C12 | C11 | C10 | C19 | 65.0° | 51.4° |
C12 | C11 | C10 | H5 | 120.1° | 119.8° |
C12 | C11 | C10 | H4 | 120.1° | 119.9° |
C12 | C11 | C10 | N09 | 173.9° | 171.7° |
C12 | C11 | C10 | H3 | 51.6° | 68.8° |
C12 | C11 | H5 | H4 | 119.7° | 120.4° |
C11 | C12 | C01 | H13 | 53.9° | 55.5° |
C11 | C12 | C01 | H14 | 173.8° | 175.6° |
C11 | C12 | C01 | H15 | 66.1° | 64.4° |
C24 | C1 | C2 | H1 | 180.0° | 179.7° |
C1 | C24 | C23 | N3 | 178.0° | 179.9° |
C1 | C24 | C23 | C20 | 161.3° | 175.0° |
C24 | C1 | C2 | N4 | 0.7° | 0.0° |
C1 | C24 | N3 | N4 | 0.9° | 0.0° |
C24 | C1 | C2 | H2 | 179.3° | 180.0° |
C2 | C1 | C24 | C23 | 179.2° | 179.9° |
C2 | C1 | C24 | N3 | 1.0° | 0.0° |
C1 | C2 | N4 | H2 | 180.0° | 180.0° |
C1 | C2 | N4 | N3 | 0.2° | 0.0° |
C1 | C2 | N4 | H21 | 179.8° | 179.9° |
C24 | C23 | C20 | C19 | 180.0° | 180.0° |
C23 | C24 | N3 | N4 | 179.2° | 180.0° |
C23 | C24 | C1 | H1 | 0.8° | 0.4° |
C24 | C23 | C20 | H10 | 0.0° | 0.0° |
C24 | C23 | C22 | H12 | 0.9° | 0.0° |
C20 | C23 | C24 | N3 | 20.7° | 5.1° |
C23 | C20 | C19 | H10 | 180.0° | 180.0° |
C23 | C20 | C19 | C10 | 177.2° | 179.8° |
C20 | C23 | C22 | H12 | 179.5° | 179.9° |
C24 | N3 | N4 | C2 | 0.4° | 0.0° |
N3 | C24 | C1 | H1 | 179.0° | 179.7° |
C24 | N3 | N4 | H21 | 179.6° | 179.9° |
C2 | N4 | N3 | H21 | 180.0° | 179.9° |
N4 | C2 | C1 | H1 | 179.3° | 179.7° |
C20 | C19 | C10 | C11 | 125.3° | 159.3° |
C20 | C19 | C10 | N09 | 4.6° | 39.1° |
C20 | C19 | C10 | H3 | 117.8° | 80.4° |
C19 | C10 | C11 | N09 | 121.1° | 120.3° |
C19 | C10 | C11 | H3 | 116.6° | 120.2° |
C19 | C10 | N09 | H3 | 121.4° | 119.4° |
C19 | C10 | N09 | C08 | 87.1° | 84.4° |
C19 | C10 | C11 | H5 | 174.9° | 68.4° |
C19 | C10 | C11 | H4 | 55.1° | 171.3° |
C10 | C19 | C20 | H10 | 2.8° | 0.2° |
C19 | C10 | N09 | H20 | 151.4° | 95.5° |
C11 | C10 | N09 | H3 | 121.7° | 119.5° |
C11 | C10 | N09 | C08 | 156.0° | 154.5° |
C10 | C11 | H5 | H4 | 119.8° | 120.2° |
C10 | C11 | C12 | H6 | 89.9° | 56.3° |
C11 | C10 | N09 | H20 | 34.4° | 25.5° |
N3 | N4 | C2 | H2 | 179.8° | 180.0° |
C10 | N09 | C08 | H20 | 121.5° | 180.0° |
C10 | N09 | C08 | C07 | 11.8° | 180.0° |
C10 | N09 | C08 | C05 | 168.0° | 0.7° |
N09 | C10 | C11 | H5 | 53.8° | 51.9° |
N09 | C10 | C11 | H4 | 66.0° | 68.4° |
N09 | C08 | C07 | C05 | 179.9° | 179.3° |
N09 | C08 | C07 | C06 | 178.6° | 180.0° |
N09 | C08 | C05 | C04 | 178.4° | 179.7° |
C08 | N09 | C10 | H3 | 34.3° | 35.0° |
N09 | C08 | C05 | H17 | 1.6° | 0.2° |
N09 | C08 | C07 | H19 | 1.4° | 0.7° |
C08 | C07 | C06 | H19 | 180.0° | 179.3° |
C08 | C07 | C06 | C03 | 0.9° | 0.4° |
C07 | C08 | C05 | C04 | 1.5° | 0.4° |
C07 | C08 | C05 | H17 | 178.5° | 179.5° |
C08 | C07 | C06 | H18 | 179.1° | 179.5° |
C07 | C08 | N09 | H20 | 133.4° | 0.0° |
C06 | C07 | C08 | C05 | 1.3° | 0.7° |
C07 | C06 | C03 | H18 | 180.0° | 179.9° |
C07 | C06 | C03 | C04 | 0.7° | 0.1° |
C07 | C06 | C03 | C13 | 179.7° | 179.8° |
C08 | C05 | C04 | H17 | 180.0° | 179.9° |
C08 | C05 | C04 | C03 | 1.3° | 0.1° |
C08 | C05 | C04 | H16 | 178.7° | 180.0° |
C05 | C08 | C07 | H19 | 178.7° | 180.0° |
C05 | C08 | N09 | H20 | 46.5° | 179.3° |
C06 | C03 | C04 | C05 | 0.9° | 0.3° |
C06 | C03 | C04 | C13 | 179.6° | 179.7° |
C06 | C03 | C13 | N14 | 2.1° | 90.4° |
C06 | C03 | C04 | H16 | 179.1° | 179.8° |
C03 | C06 | C07 | H19 | 179.1° | 179.8° |
C05 | C04 | C03 | H16 | 180.0° | 179.9° |
C05 | C04 | C03 | C13 | 179.5° | 180.0° |
C04 | C03 | C13 | N14 | 178.3° | 89.3° |
C03 | C04 | C05 | H17 | 178.7° | 180.0° |
C04 | C03 | C06 | H18 | 179.3° | 180.0° |
C13 | C03 | C04 | H16 | 0.5° | 0.1° |
C13 | C03 | C06 | H18 | 0.3° | 0.3° |
H1 | C1 | C2 | H2 | 0.7° | 0.3° |
H2 | C2 | N4 | H21 | 0.2° | 0.1° |
H3 | C10 | C11 | H5 | 68.5° | 171.3° |
H3 | C10 | C11 | H4 | 171.7° | 51.1° |
H3 | C10 | N09 | H20 | 87.2° | 145.0° |
H5 | C11 | C12 | H6 | 30.2° | 176.1° |
H4 | C11 | C12 | H6 | 150.0° | 63.5° |
H6 | C12 | C01 | H13 | 63.2° | 65.3° |
H6 | C12 | C01 | H14 | 56.8° | 54.8° |
H6 | C12 | C01 | H15 | 176.8° | 174.8° |
H7 | C16 | H9 | H8 | 120.0° | 120.0° |
H11 | C21 | C22 | H12 | 1.6° | 0.1° |
H13 | C01 | H14 | H15 | 120.0° | 120.0° |
H16 | C04 | C05 | H17 | 1.3° | 0.1° |
H18 | C06 | C07 | H19 | 0.9° | 0.2° |