9NN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | sing | 1.47Å | 1.50Å | |
C02 | C03 | sing | 1.51Å | 1.52Å | |
C03 | C08 | doub | 1.38Å | 1.43Å | Aromatic |
C03 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
C08 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
C07 | N09 | sing | 1.39Å | 1.40Å | |
C07 | N06 | doub | 1.32Å | 1.40Å | Aromatic |
C05 | N06 | sing | 1.32Å | 1.36Å | Aromatic |
C02 | H1 | sing | 1.09Å | 1.10Å | |
C02 | H2 | sing | 1.09Å | 1.10Å | |
C04 | H3 | sing | 1.08Å | 1.08Å | |
C05 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
N01 | H6 | sing | 1.01Å | 1.00Å | |
N01 | H7 | sing | 1.01Å | 1.00Å | |
N09 | H9 | sing | 0.97Å | 1.00Å | |
N09 | H10 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N01 | C02 | C03 | 111.7° | 109.5° |
N01 | C02 | H1 | 108.9° | 109.4° |
N01 | C02 | H2 | 108.9° | 109.4° |
C02 | N01 | H6 | 109.5° | 111.0° |
C02 | N01 | H7 | 109.5° | 111.0° |
C02 | C03 | C08 | 120.9° | 120.8° |
C02 | C03 | C04 | 121.3° | 120.8° |
C03 | C02 | H1 | 108.9° | 109.5° |
C03 | C02 | H2 | 108.9° | 109.5° |
C08 | C03 | C04 | 117.8° | 118.5° |
C03 | C08 | C07 | 122.4° | 119.1° |
C03 | C08 | H5 | 118.8° | 120.4° |
C03 | C04 | C05 | 117.2° | 119.3° |
C03 | C04 | H3 | 121.4° | 120.3° |
C08 | C07 | N09 | 123.6° | 119.7° |
C08 | C07 | N06 | 118.9° | 120.6° |
C07 | C08 | H5 | 118.8° | 120.5° |
C04 | C05 | N06 | 126.2° | 120.8° |
C05 | C04 | H3 | 121.4° | 120.3° |
C04 | C05 | H4 | 116.9° | 119.6° |
N09 | C07 | N06 | 117.6° | 119.7° |
C07 | N09 | H9 | 109.5° | 120.0° |
C07 | N09 | H10 | 109.5° | 120.0° |
C07 | N06 | C05 | 117.5° | 121.6° |
N06 | C05 | H4 | 116.9° | 119.6° |
H1 | C02 | H2 | 109.5° | 109.5° |
H6 | N01 | H7 | 109.5° | 111.0° |
H9 | N09 | H10 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C02 | C03 | H1 | 120.3° | 120.0° |
N01 | C02 | C03 | H2 | 120.3° | 120.0° |
N01 | C02 | C03 | C08 | 66.5° | 90.0° |
N01 | C02 | C03 | C04 | 112.2° | 89.7° |
N01 | C02 | H1 | H2 | 119.0° | 120.0° |
C02 | N01 | H6 | H7 | 120.0° | 124.0° |
C02 | C03 | C08 | C04 | 178.8° | 179.7° |
C02 | C03 | C08 | C07 | 179.3° | 180.0° |
C02 | C03 | C04 | C05 | 179.3° | 180.0° |
C03 | C02 | H1 | H2 | 119.0° | 120.1° |
C02 | C03 | C04 | H3 | 0.7° | 0.0° |
C02 | C03 | C08 | H5 | 0.8° | 0.0° |
C03 | C02 | N01 | H6 | 180.0° | 56.0° |
C03 | C02 | N01 | H7 | 60.0° | 180.0° |
C03 | C08 | C07 | H5 | 180.0° | 180.0° |
C08 | C03 | C04 | C05 | 0.5° | 0.3° |
C03 | C08 | C07 | N09 | 179.7° | 179.7° |
C03 | C08 | C07 | N06 | 0.3° | 0.0° |
C08 | C03 | C02 | H1 | 53.8° | 150.1° |
C08 | C03 | C02 | H2 | 173.1° | 30.0° |
C08 | C03 | C04 | H3 | 179.5° | 179.7° |
C04 | C03 | C08 | C07 | 0.4° | 0.3° |
C03 | C04 | C05 | H3 | 180.0° | 180.0° |
C03 | C04 | C05 | N06 | 0.4° | 0.0° |
C04 | C03 | C02 | H1 | 127.4° | 30.3° |
C04 | C03 | C02 | H2 | 8.1° | 150.3° |
C03 | C04 | C05 | H4 | 179.6° | 180.0° |
C04 | C03 | C08 | H5 | 179.6° | 179.7° |
C08 | C07 | N09 | N06 | 179.9° | 179.7° |
C08 | C07 | N06 | C05 | 0.1° | 0.3° |
C08 | C07 | N09 | H9 | 180.0° | 179.7° |
C08 | C07 | N09 | H10 | 60.0° | 0.3° |
C04 | C05 | N06 | C07 | 0.2° | 0.3° |
C04 | C05 | N06 | H4 | 180.0° | 180.0° |
N09 | C07 | N06 | C05 | 179.8° | 180.0° |
N09 | C07 | C08 | H5 | 0.3° | 0.3° |
C07 | N09 | H9 | H10 | 120.0° | 180.0° |
C07 | N06 | C05 | H4 | 179.8° | 179.7° |
N06 | C07 | C08 | H5 | 179.8° | 180.0° |
N06 | C07 | N09 | H9 | 0.0° | 0.0° |
N06 | C07 | N09 | H10 | 120.0° | 180.0° |
N06 | C05 | C04 | H3 | 179.6° | 180.0° |
H1 | C02 | N01 | H6 | 59.6° | 64.0° |
H1 | C02 | N01 | H7 | 60.3° | 60.0° |
H2 | C02 | N01 | H6 | 59.7° | 176.0° |
H2 | C02 | N01 | H7 | 179.7° | 60.0° |
H3 | C04 | C05 | H4 | 0.4° | 0.0° |