02N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C20 | C21 | sing | 1.51Å | 1.52Å | |
C20 | N16 | sing | 1.47Å | 1.45Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
C24 | C27 | sing | 1.51Å | 1.53Å | |
C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | H26 | sing | 1.08Å | 1.08Å | |
N16 | HN16 | sing | 1.01Å | 1.00Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H27A | sing | 1.09Å | 1.10Å | |
C27 | H27B | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
N16 | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C21 | C20 | N16 | 110.8° | 109.4° |
C21 | C20 | H20 | 109.0° | 109.5° |
C21 | C20 | H20A | 109.0° | 109.5° |
C20 | C21 | C22 | 119.2° | 120.0° |
C20 | C21 | C26 | 120.5° | 120.0° |
N16 | C20 | H20 | 109.0° | 109.5° |
N16 | C20 | H20A | 109.0° | 109.5° |
C20 | N16 | HN16 | 109.5° | 110.9° |
C20 | N16 | H2 | 109.5° | 111.0° |
H20 | C20 | H20A | 109.9° | 109.5° |
C22 | C21 | C26 | 120.3° | 120.0° |
C21 | C22 | C23 | 119.7° | 120.0° |
C21 | C22 | H22 | 120.1° | 120.0° |
C21 | C26 | C25 | 119.7° | 120.0° |
C21 | C26 | H26 | 120.1° | 120.0° |
C23 | C22 | H22 | 120.1° | 120.0° |
C22 | C23 | C24 | 120.1° | 120.0° |
C22 | C23 | H23 | 119.9° | 120.0° |
C23 | C24 | C27 | 119.6° | 120.0° |
C23 | C24 | C25 | 119.9° | 120.0° |
C24 | C23 | H23 | 119.9° | 120.0° |
C27 | C24 | C25 | 120.6° | 120.0° |
C24 | C27 | H27 | 109.5° | 109.5° |
C24 | C27 | H27A | 109.4° | 109.5° |
C24 | C27 | H27B | 109.4° | 109.5° |
C24 | C25 | C26 | 120.3° | 120.0° |
C24 | C25 | H25 | 119.8° | 120.0° |
C25 | C26 | H26 | 120.2° | 120.0° |
C26 | C25 | H25 | 119.9° | 120.0° |
HN16 | N16 | H2 | 109.5° | 111.0° |
H27 | C27 | H27A | 109.5° | 109.4° |
H27 | C27 | H27B | 109.4° | 109.5° |
H27A | C27 | H27B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C21 | C20 | N16 | H20 | 120.0° | 120.0° |
C21 | C20 | N16 | H20A | 120.0° | 120.0° |
C21 | C20 | H20 | H20A | 119.5° | 120.0° |
C20 | C21 | C22 | C26 | 178.7° | 179.8° |
C20 | C21 | C22 | C23 | 179.6° | 180.0° |
C20 | C21 | C22 | H22 | 0.4° | 0.0° |
C20 | C21 | C26 | C25 | 179.3° | 180.0° |
C20 | C21 | C26 | H26 | 0.7° | 0.1° |
C21 | C20 | N16 | HN16 | 180.0° | 56.1° |
C21 | C20 | N16 | H2 | 60.0° | 180.0° |
N16 | C20 | H20 | H20A | 119.5° | 120.0° |
N16 | C20 | C21 | C22 | 100.8° | 89.8° |
N16 | C20 | C21 | C26 | 80.4° | 90.0° |
C20 | N16 | HN16 | H2 | 120.0° | 123.9° |
H20 | C20 | C21 | C22 | 139.2° | 30.2° |
H20 | C20 | C21 | C26 | 39.5° | 149.9° |
H20 | C20 | N16 | HN16 | 60.0° | 63.9° |
H20 | C20 | N16 | H2 | 180.0° | 60.0° |
H20A | C20 | C21 | C22 | 19.2° | 150.2° |
H20A | C20 | C21 | C26 | 159.6° | 29.9° |
H20A | C20 | N16 | HN16 | 60.0° | 176.1° |
H20A | C20 | N16 | H2 | 60.0° | 60.1° |
C21 | C22 | C23 | H22 | 180.0° | 179.9° |
C21 | C22 | C23 | C24 | 0.6° | 0.0° |
C22 | C21 | C26 | C25 | 0.6° | 0.2° |
C22 | C21 | C26 | H26 | 179.4° | 179.7° |
C21 | C22 | C23 | H23 | 179.4° | 180.0° |
C26 | C21 | C22 | C23 | 0.8° | 0.2° |
C26 | C21 | C22 | H22 | 179.1° | 179.8° |
C21 | C26 | C25 | C24 | 0.0° | 0.0° |
C21 | C26 | C25 | H26 | 180.0° | 179.9° |
C21 | C26 | C25 | H25 | 179.9° | 179.8° |
C22 | C23 | C24 | H23 | 180.0° | 180.0° |
C22 | C23 | C24 | C27 | 179.4° | 180.0° |
C22 | C23 | C24 | C25 | 0.1° | 0.2° |
H22 | C22 | C23 | C24 | 179.4° | 180.0° |
H22 | C22 | C23 | H23 | 0.7° | 0.0° |
C23 | C24 | C27 | C25 | 179.5° | 179.8° |
C23 | C24 | C25 | C26 | 0.2° | 0.2° |
C23 | C24 | C27 | H27 | 89.7° | 90.2° |
C23 | C24 | C27 | H27A | 150.3° | 29.8° |
C23 | C24 | C27 | H27B | 30.2° | 149.8° |
C23 | C24 | C25 | H25 | 179.8° | 180.0° |
C27 | C24 | C25 | C26 | 179.6° | 180.0° |
C27 | C24 | C23 | H23 | 0.6° | 0.0° |
C24 | C27 | H27 | H27A | 120.0° | 120.0° |
C24 | C27 | H27 | H27B | 120.0° | 120.0° |
C24 | C27 | H27A | H27B | 120.0° | 120.0° |
C27 | C24 | C25 | H25 | 0.4° | 0.2° |
C24 | C25 | C26 | H25 | 180.0° | 179.7° |
C24 | C25 | C26 | H26 | 180.0° | 179.9° |
C25 | C24 | C23 | H23 | 179.9° | 179.8° |
C25 | C24 | C27 | H27 | 89.7° | 90.0° |
C25 | C24 | C27 | H27A | 30.3° | 150.0° |
C25 | C24 | C27 | H27B | 150.3° | 30.0° |
H26 | C26 | C25 | H25 | 0.1° | 0.4° |
H27 | C27 | H27A | H27B | 120.0° | 120.0° |