RYP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | N02 | sing | 1.47Å | 1.41Å | |
N02 | C03 | sing | 1.47Å | 1.50Å | |
C03 | C04 | sing | 1.51Å | 1.59Å | |
C04 | C09 | doub | 1.39Å | 1.35Å | Aromatic |
C04 | C05 | sing | 1.39Å | 1.36Å | Aromatic |
C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
C08 | N07 | doub | 1.32Å | 1.28Å | Aromatic |
C06 | N07 | sing | 1.32Å | 1.30Å | Aromatic |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.08Å | 1.08Å | |
C06 | H7 | sing | 1.08Å | 1.08Å | |
C08 | H8 | sing | 1.08Å | 1.08Å | |
C09 | H9 | sing | 1.08Å | 1.08Å | |
N02 | H10 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | N02 | C03 | 113.1° | 111.0° |
N02 | C01 | H1 | 109.5° | 109.4° |
N02 | C01 | H2 | 109.5° | 109.5° |
N02 | C01 | H3 | 109.5° | 109.4° |
C01 | N02 | H10 | 108.6° | 111.0° |
N02 | C03 | C04 | 111.3° | 109.5° |
N02 | C03 | H4 | 109.0° | 109.4° |
N02 | C03 | H5 | 109.0° | 109.5° |
C03 | N02 | H10 | 108.5° | 111.1° |
C03 | C04 | C09 | 119.2° | 120.8° |
C03 | C04 | C05 | 121.1° | 120.8° |
C04 | C03 | H4 | 109.0° | 109.5° |
C04 | C03 | H5 | 109.0° | 109.4° |
C09 | C04 | C05 | 119.7° | 118.4° |
C04 | C09 | C08 | 118.2° | 119.2° |
C04 | C09 | H9 | 120.9° | 120.4° |
C04 | C05 | C06 | 118.5° | 119.2° |
C04 | C05 | H6 | 120.7° | 120.4° |
C09 | C08 | N07 | 122.0° | 120.8° |
C09 | C08 | H8 | 119.0° | 119.6° |
C08 | C09 | H9 | 120.9° | 120.4° |
C05 | C06 | N07 | 120.5° | 120.7° |
C06 | C05 | H6 | 120.8° | 120.4° |
C05 | C06 | H7 | 119.8° | 119.6° |
C08 | N07 | C06 | 121.1° | 121.7° |
N07 | C08 | H8 | 119.0° | 119.6° |
N07 | C06 | H7 | 119.7° | 119.7° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.4° | 109.4° |
H2 | C01 | H3 | 109.5° | 109.6° |
H4 | C03 | H5 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | N02 | C03 | H10 | 120.6° | 124.0° |
C01 | N02 | C03 | C04 | 112.8° | 180.0° |
N02 | C01 | H1 | H2 | 120.0° | 120.0° |
N02 | C01 | H1 | H3 | 120.0° | 119.9° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | N02 | C03 | H4 | 7.5° | 60.0° |
C01 | N02 | C03 | H5 | 127.0° | 60.0° |
N02 | C03 | C04 | H4 | 120.3° | 119.9° |
N02 | C03 | C04 | H5 | 120.3° | 120.0° |
N02 | C03 | C04 | C09 | 105.3° | 90.0° |
N02 | C03 | C04 | C05 | 74.0° | 89.7° |
C03 | N02 | C01 | H1 | 180.0° | 180.0° |
C03 | N02 | C01 | H2 | 60.0° | 60.0° |
C03 | N02 | C01 | H3 | 60.0° | 60.0° |
N02 | C03 | H4 | H5 | 119.2° | 120.1° |
C03 | C04 | C09 | C05 | 179.3° | 179.7° |
C03 | C04 | C09 | C08 | 179.8° | 180.0° |
C03 | C04 | C05 | C06 | 179.6° | 180.0° |
C04 | C03 | H4 | H5 | 119.1° | 120.0° |
C03 | C04 | C05 | H6 | 0.4° | 0.0° |
C03 | C04 | C09 | H9 | 0.2° | 0.0° |
C04 | C03 | N02 | H10 | 126.7° | 56.0° |
C04 | C09 | C08 | H9 | 180.0° | 179.9° |
C09 | C04 | C05 | C06 | 0.4° | 0.3° |
C04 | C09 | C08 | N07 | 1.3° | 0.0° |
C09 | C04 | C03 | H4 | 15.0° | 150.1° |
C09 | C04 | C03 | H5 | 134.4° | 30.0° |
C09 | C04 | C05 | H6 | 179.6° | 179.7° |
C04 | C09 | C08 | H8 | 178.7° | 179.7° |
C05 | C04 | C09 | C08 | 0.9° | 0.3° |
C04 | C05 | C06 | H6 | 180.0° | 180.0° |
C04 | C05 | C06 | N07 | 0.1° | 0.1° |
C05 | C04 | C03 | H4 | 165.7° | 30.2° |
C05 | C04 | C03 | H5 | 46.3° | 150.3° |
C04 | C05 | C06 | H7 | 179.8° | 180.0° |
C05 | C04 | C09 | H9 | 179.1° | 179.7° |
C09 | C08 | N07 | H8 | 180.0° | 179.7° |
C09 | C08 | N07 | C06 | 1.1° | 0.3° |
C05 | C06 | N07 | C08 | 0.5° | 0.4° |
C05 | C06 | N07 | H7 | 180.0° | 179.9° |
C08 | N07 | C06 | H7 | 179.5° | 179.7° |
N07 | C08 | C09 | H9 | 178.7° | 180.0° |
N07 | C06 | C05 | H6 | 179.9° | 180.0° |
C06 | N07 | C08 | H8 | 178.9° | 180.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | N02 | H10 | 59.4° | 56.0° |
H2 | C01 | N02 | H10 | 60.6° | 64.0° |
H3 | C01 | N02 | H10 | 179.4° | 175.9° |
H4 | C03 | N02 | H10 | 113.1° | 64.0° |
H5 | C03 | N02 | H10 | 6.4° | 176.0° |
H6 | C05 | C06 | H7 | 0.2° | 0.0° |
H8 | C08 | C09 | H9 | 1.3° | 0.2° |