7N2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N17 | C18 | doub | 1.32Å | 1.32Å | Aromatic |
N17 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
C18 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
O22 | S20 | doub | 1.42Å | 1.43Å | |
O21 | S20 | doub | 1.42Å | 1.43Å | |
C13 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
C13 | C19 | sing | 1.51Å | 1.53Å | |
C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | N12 | sing | 1.40Å | 1.45Å | |
C11 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
N12 | S20 | sing | 1.66Å | 1.72Å | |
N12 | C19 | sing | 1.47Å | 1.47Å | |
S20 | C23 | sing | 1.76Å | 1.78Å | |
C19 | C02 | sing | 1.51Å | 1.45Å | |
C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C06 | N01 | sing | 1.40Å | 1.43Å | |
C23 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C02 | N01 | sing | 1.38Å | 1.38Å | Aromatic |
C02 | C03 | doub | 1.34Å | 1.37Å | Aromatic |
C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
N01 | C05 | sing | 1.35Å | 1.38Å | Aromatic |
C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
F32 | C29 | sing | 1.40Å | 1.34Å | |
C03 | C04 | sing | 1.41Å | 1.42Å | Aromatic |
F30 | C29 | sing | 1.40Å | 1.34Å | |
C27 | C29 | sing | 1.51Å | 1.51Å | |
C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C04 | doub | 1.35Å | 1.42Å | Aromatic |
C29 | F31 | sing | 1.40Å | 1.41Å | |
C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
C03 | H1 | sing | 1.08Å | 1.08Å | |
C04 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.08Å | 1.08Å | |
C15 | H9 | sing | 1.08Å | 1.08Å | |
C16 | H10 | sing | 1.08Å | 1.08Å | |
C18 | H11 | sing | 1.08Å | 1.08Å | |
C19 | H12 | sing | 1.09Å | 1.10Å | |
C24 | H13 | sing | 1.08Å | 1.08Å | |
C25 | H14 | sing | 1.08Å | 1.08Å | |
C26 | H15 | sing | 1.08Å | 1.08Å | |
C28 | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C18 | N17 | C16 | 117.1° | 121.8° |
N17 | C18 | C14 | 123.3° | 120.7° |
N17 | C18 | H11 | 118.4° | 119.7° |
N17 | C16 | C13 | 124.7° | 120.7° |
N17 | C16 | H10 | 117.7° | 119.6° |
C18 | C14 | C15 | 119.0° | 119.2° |
C18 | C14 | H8 | 120.5° | 120.4° |
C14 | C18 | H11 | 118.4° | 119.6° |
C16 | C13 | C15 | 116.0° | 119.2° |
C16 | C13 | C19 | 122.9° | 120.4° |
C13 | C16 | H10 | 117.6° | 119.6° |
C10 | C09 | C08 | 120.9° | 120.4° |
C09 | C10 | C11 | 118.8° | 119.9° |
C10 | C09 | H6 | 119.5° | 119.8° |
C09 | C10 | H7 | 120.6° | 120.1° |
C09 | C08 | C07 | 121.3° | 120.1° |
C09 | C08 | H5 | 119.4° | 120.0° |
C08 | C09 | H6 | 119.6° | 119.8° |
C10 | C11 | N12 | 122.7° | 120.5° |
C10 | C11 | C06 | 120.5° | 119.4° |
C11 | C10 | H7 | 120.6° | 120.0° |
C14 | C15 | C13 | 119.8° | 118.4° |
C15 | C14 | H8 | 120.5° | 120.4° |
C14 | C15 | H9 | 120.1° | 120.8° |
O22 | S20 | O21 | 118.9° | 123.2° |
O22 | S20 | N12 | 105.6° | 106.4° |
O22 | S20 | C23 | 106.2° | 106.4° |
O21 | S20 | N12 | 105.4° | 106.4° |
O21 | S20 | C23 | 107.9° | 106.4° |
C15 | C13 | C19 | 121.1° | 120.4° |
C13 | C15 | H9 | 120.1° | 120.8° |
C13 | C19 | N12 | 112.9° | 109.8° |
C13 | C19 | C02 | 113.8° | 109.8° |
C13 | C19 | H12 | 106.0° | 109.9° |
C08 | C07 | C06 | 118.8° | 119.7° |
C08 | C07 | H4 | 120.6° | 120.2° |
C07 | C08 | H5 | 119.4° | 119.9° |
N12 | C11 | C06 | 116.5° | 120.1° |
C11 | N12 | S20 | 122.9° | 119.9° |
C11 | N12 | C19 | 112.5° | 120.2° |
C11 | C06 | C07 | 119.7° | 120.3° |
C11 | C06 | N01 | 117.8° | 117.8° |
S20 | N12 | C19 | 119.6° | 119.9° |
N12 | S20 | C23 | 113.1° | 107.2° |
N12 | C19 | C02 | 109.9° | 107.7° |
N12 | C19 | H12 | 106.7° | 109.8° |
S20 | C23 | C28 | 119.3° | 120.0° |
S20 | C23 | C24 | 120.3° | 120.0° |
C19 | C02 | N01 | 116.9° | 122.2° |
C19 | C02 | C03 | 133.7° | 129.5° |
C02 | C19 | H12 | 106.9° | 109.9° |
C07 | C06 | N01 | 122.5° | 121.9° |
C06 | C07 | H4 | 120.6° | 120.1° |
C06 | N01 | C02 | 120.8° | 121.2° |
C06 | N01 | C05 | 130.4° | 130.2° |
C28 | C23 | C24 | 120.3° | 120.0° |
C23 | C28 | C27 | 119.6° | 120.0° |
C23 | C28 | H16 | 120.2° | 120.0° |
C23 | C24 | C25 | 119.6° | 120.0° |
C23 | C24 | H13 | 120.2° | 120.0° |
N01 | C02 | C03 | 109.4° | 108.3° |
C02 | N01 | C05 | 108.8° | 108.6° |
C02 | C03 | C04 | 107.5° | 107.4° |
C02 | C03 | H1 | 126.3° | 126.4° |
C28 | C27 | C29 | 121.0° | 120.0° |
C28 | C27 | C26 | 119.1° | 120.1° |
C27 | C28 | H16 | 120.2° | 120.0° |
N01 | C05 | C04 | 107.3° | 108.2° |
N01 | C05 | H3 | 126.3° | 125.8° |
C24 | C25 | C26 | 120.6° | 120.0° |
C25 | C24 | H13 | 120.2° | 120.0° |
C24 | C25 | H14 | 119.7° | 119.9° |
F32 | C29 | F30 | 106.5° | 109.5° |
F32 | C29 | C27 | 111.4° | 109.5° |
F32 | C29 | F31 | 105.4° | 109.4° |
C03 | C04 | C05 | 107.0° | 107.5° |
C04 | C03 | H1 | 126.2° | 126.3° |
C03 | C04 | H2 | 126.5° | 126.2° |
F30 | C29 | C27 | 114.3° | 109.5° |
F30 | C29 | F31 | 105.2° | 109.5° |
C29 | C27 | C26 | 119.9° | 120.0° |
C27 | C29 | F31 | 113.3° | 109.5° |
C27 | C26 | C25 | 120.6° | 120.0° |
C27 | C26 | H15 | 119.7° | 120.1° |
C05 | C04 | H2 | 126.5° | 126.3° |
C04 | C05 | H3 | 126.3° | 126.0° |
C26 | C25 | H14 | 119.7° | 120.1° |
C25 | C26 | H15 | 119.7° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N17 | C18 | C14 | H11 | 180.0° | 179.7° |
C18 | N17 | C16 | C13 | 3.6° | 0.0° |
N17 | C18 | C14 | C15 | 3.3° | 0.6° |
N17 | C18 | C14 | H8 | 176.7° | 180.0° |
C18 | N17 | C16 | H10 | 176.4° | 180.0° |
C16 | N17 | C18 | C14 | 5.3° | 0.3° |
N17 | C16 | C13 | H10 | 180.0° | 180.0° |
N17 | C16 | C13 | C15 | 0.1° | 0.0° |
N17 | C16 | C13 | C19 | 179.0° | 179.7° |
C16 | N17 | C18 | H11 | 174.7° | 180.0° |
C18 | C14 | C15 | H8 | 180.0° | 179.4° |
C18 | C14 | C15 | C13 | 0.5° | 0.6° |
C18 | C14 | C15 | H9 | 179.5° | 179.5° |
C16 | C13 | C15 | C14 | 2.0° | 0.3° |
C16 | C13 | C15 | C19 | 179.0° | 179.7° |
C16 | C13 | C19 | N12 | 61.1° | 40.3° |
C16 | C13 | C19 | C02 | 172.6° | 78.0° |
C16 | C13 | C15 | H9 | 178.0° | 179.8° |
C16 | C13 | C19 | H12 | 55.4° | 161.1° |
C10 | C09 | C08 | H6 | 180.0° | 180.0° |
C09 | C10 | C11 | H7 | 180.0° | 180.0° |
C10 | C09 | C08 | C07 | 2.1° | 0.6° |
C09 | C10 | C11 | N12 | 177.4° | 178.6° |
C09 | C10 | C11 | C06 | 4.3° | 0.8° |
C10 | C09 | C08 | H5 | 177.9° | 179.5° |
C08 | C09 | C10 | C11 | 3.7° | 0.3° |
C09 | C08 | C07 | H5 | 180.0° | 179.9° |
C09 | C08 | C07 | C06 | 0.9° | 0.3° |
C09 | C08 | C07 | H4 | 179.1° | 179.7° |
C08 | C09 | C10 | H7 | 176.2° | 179.6° |
C10 | C11 | N12 | C06 | 173.4° | 179.4° |
C10 | C11 | N12 | S20 | 67.2° | 28.6° |
C10 | C11 | N12 | C19 | 137.8° | 151.4° |
C10 | C11 | C06 | C07 | 3.2° | 1.7° |
C10 | C11 | C06 | N01 | 177.2° | 178.9° |
C11 | C10 | C09 | H6 | 176.3° | 179.7° |
C14 | C15 | C13 | H9 | 180.0° | 179.9° |
C14 | C15 | C13 | C19 | 177.0° | 180.0° |
C15 | C14 | C18 | H11 | 176.7° | 179.7° |
O22 | S20 | O21 | N12 | 118.0° | 122.9° |
O22 | S20 | O21 | C23 | 120.9° | 123.0° |
O22 | S20 | N12 | C11 | 27.2° | 153.8° |
O22 | S20 | N12 | C23 | 115.7° | 113.5° |
O22 | S20 | N12 | C19 | 179.6° | 26.2° |
O22 | S20 | C23 | C28 | 77.9° | 150.3° |
O22 | S20 | C23 | C24 | 97.5° | 29.9° |
O21 | S20 | N12 | C11 | 153.8° | 20.8° |
O21 | S20 | N12 | C23 | 117.6° | 113.5° |
O21 | S20 | N12 | C19 | 52.9° | 159.2° |
O21 | S20 | C23 | C28 | 50.7° | 17.3° |
O21 | S20 | C23 | C24 | 134.0° | 162.9° |
C15 | C13 | C19 | N12 | 120.0° | 140.0° |
C15 | C13 | C19 | C02 | 6.3° | 101.7° |
C13 | C15 | C14 | H8 | 179.5° | 180.0° |
C15 | C13 | C16 | H10 | 179.9° | 180.0° |
C15 | C13 | C19 | H12 | 123.5° | 19.2° |
C13 | C19 | N12 | C11 | 71.0° | 81.3° |
C13 | C19 | N12 | S20 | 133.2° | 98.7° |
C13 | C19 | N12 | C02 | 128.3° | 119.5° |
C13 | C19 | N12 | H12 | 116.1° | 120.9° |
C13 | C19 | C02 | H12 | 116.7° | 120.9° |
C13 | C19 | C02 | N01 | 87.1° | 94.8° |
C13 | C19 | C02 | C03 | 91.9° | 84.3° |
C19 | C13 | C15 | H9 | 3.0° | 0.1° |
C19 | C13 | C16 | H10 | 1.0° | 0.3° |
C08 | C07 | C06 | C11 | 1.5° | 1.4° |
C08 | C07 | C06 | H4 | 180.0° | 180.0° |
C08 | C07 | C06 | N01 | 178.9° | 179.2° |
C07 | C08 | C09 | H6 | 177.9° | 179.5° |
C11 | N12 | S20 | C19 | 153.3° | 180.0° |
C11 | N12 | S20 | C23 | 88.6° | 92.7° |
C11 | N12 | C19 | C02 | 57.4° | 38.2° |
N12 | C11 | C06 | C07 | 176.8° | 177.7° |
N12 | C11 | C06 | N01 | 3.6° | 1.7° |
N12 | C11 | C10 | H7 | 2.5° | 1.4° |
C11 | N12 | C19 | H12 | 173.0° | 157.8° |
C06 | C11 | N12 | S20 | 119.4° | 150.8° |
C06 | C11 | N12 | C19 | 35.6° | 29.2° |
C11 | C06 | C07 | N01 | 179.6° | 179.4° |
C11 | C06 | N01 | C02 | 21.7° | 12.0° |
C11 | C06 | N01 | C05 | 155.3° | 168.6° |
C11 | C06 | C07 | H4 | 178.5° | 178.6° |
C06 | C11 | C10 | H7 | 175.7° | 179.2° |
S20 | N12 | C19 | C02 | 98.5° | 141.8° |
N12 | S20 | C23 | C28 | 166.8° | 96.2° |
N12 | S20 | C23 | C24 | 17.8° | 83.6° |
S20 | N12 | C19 | H12 | 17.1° | 22.2° |
C19 | N12 | S20 | C23 | 64.7° | 87.3° |
N12 | C19 | C02 | H12 | 115.5° | 119.6° |
N12 | C19 | C02 | N01 | 40.8° | 24.7° |
N12 | C19 | C02 | C03 | 140.3° | 156.2° |
S20 | C23 | C28 | C24 | 175.3° | 179.7° |
S20 | C23 | C28 | C27 | 179.5° | 179.8° |
S20 | C23 | C24 | C25 | 178.6° | 180.0° |
S20 | C23 | C24 | H13 | 1.4° | 0.0° |
S20 | C23 | C28 | H16 | 0.5° | 0.1° |
C19 | C02 | N01 | C06 | 2.0° | 1.2° |
C19 | C02 | N01 | C03 | 179.2° | 179.3° |
C19 | C02 | N01 | C05 | 179.6° | 178.4° |
C19 | C02 | C03 | C04 | 179.4° | 178.6° |
C19 | C02 | C03 | H1 | 0.6° | 1.4° |
C07 | C06 | N01 | C02 | 158.7° | 168.6° |
C07 | C06 | N01 | C05 | 24.3° | 10.8° |
C06 | C07 | C08 | H5 | 179.1° | 179.6° |
C06 | N01 | C02 | C05 | 177.6° | 179.5° |
C06 | N01 | C02 | C03 | 178.7° | 179.5° |
C06 | N01 | C05 | C04 | 178.7° | 179.7° |
C06 | N01 | C05 | H3 | 1.3° | 0.3° |
N01 | C06 | C07 | H4 | 1.1° | 0.8° |
C23 | C28 | C27 | H16 | 180.0° | 179.8° |
C28 | C23 | C24 | C25 | 3.3° | 0.3° |
C23 | C28 | C27 | C29 | 177.9° | 179.7° |
C23 | C28 | C27 | C26 | 3.3° | 0.5° |
C28 | C23 | C24 | H13 | 176.7° | 179.8° |
C24 | C23 | C28 | C27 | 4.2° | 0.5° |
C23 | C24 | C25 | H13 | 180.0° | 180.0° |
C23 | C24 | C25 | C26 | 1.6° | 0.0° |
C23 | C24 | C25 | H14 | 178.4° | 180.0° |
C24 | C23 | C28 | H16 | 175.8° | 179.7° |
N01 | C02 | C03 | C04 | 0.4° | 0.7° |
C02 | N01 | C05 | C04 | 1.5° | 0.8° |
N01 | C02 | C03 | H1 | 179.6° | 179.3° |
C02 | N01 | C05 | H3 | 178.5° | 179.2° |
N01 | C02 | C19 | H12 | 156.2° | 144.2° |
C03 | C02 | N01 | C05 | 1.2° | 1.0° |
C02 | C03 | C04 | H1 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 0.5° | 0.2° |
C02 | C03 | C04 | H2 | 179.5° | 179.8° |
C03 | C02 | C19 | H12 | 24.8° | 36.6° |
C28 | C27 | C29 | F32 | 66.0° | 59.8° |
C28 | C27 | C29 | F30 | 54.9° | 60.2° |
C28 | C27 | C29 | C26 | 178.8° | 179.8° |
C28 | C27 | C29 | F31 | 175.4° | 179.8° |
C28 | C27 | C26 | C25 | 1.6° | 0.2° |
C28 | C27 | C26 | H15 | 178.3° | 179.8° |
N01 | C05 | C04 | C03 | 1.2° | 0.4° |
N01 | C05 | C04 | H3 | 180.0° | 180.0° |
N01 | C05 | C04 | H2 | 178.8° | 179.6° |
C24 | C25 | C26 | C27 | 0.8° | 0.0° |
C24 | C25 | C26 | H14 | 180.0° | 180.0° |
C24 | C25 | C26 | H15 | 179.2° | 180.0° |
F32 | C29 | F30 | C27 | 123.5° | 120.0° |
F32 | C29 | F30 | F31 | 111.6° | 119.9° |
F32 | C29 | C27 | F31 | 118.7° | 120.0° |
F32 | C29 | C27 | C26 | 112.8° | 120.0° |
C03 | C04 | C05 | H2 | 180.0° | 180.0° |
C03 | C04 | C05 | H3 | 178.8° | 179.6° |
F30 | C29 | C27 | F31 | 120.5° | 120.0° |
F30 | C29 | C27 | C26 | 126.4° | 120.0° |
C29 | C27 | C26 | C25 | 179.6° | 180.0° |
C29 | C27 | C26 | H15 | 0.5° | 0.0° |
C29 | C27 | C28 | H16 | 2.1° | 0.1° |
C26 | C27 | C29 | F31 | 5.8° | 0.0° |
C27 | C26 | C25 | H15 | 180.0° | 179.9° |
C27 | C26 | C25 | H14 | 179.2° | 180.0° |
C26 | C27 | C28 | H16 | 176.7° | 179.7° |
C05 | C04 | C03 | H1 | 179.5° | 179.8° |
C26 | C25 | C24 | H13 | 178.4° | 180.0° |
H1 | C03 | C04 | H2 | 0.5° | 0.2° |
H2 | C04 | C05 | H3 | 1.2° | 0.4° |
H4 | C07 | C08 | H5 | 0.9° | 0.4° |
H5 | C08 | C09 | H6 | 2.1° | 0.5° |
H6 | C09 | C10 | H7 | 3.8° | 0.3° |
H8 | C14 | C15 | H9 | 0.5° | 0.0° |
H8 | C14 | C18 | H11 | 3.4° | 0.3° |
H13 | C24 | C25 | H14 | 1.6° | 0.0° |
H14 | C25 | C26 | H15 | 0.8° | 0.1° |