N5J
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C1 | doub | 1.22Å | 0.00Å | |
C1 | N1 | sing | 1.36Å | 0.00Å | |
C1 | C7 | sing | 1.47Å | 0.00Å | |
N1 | C2 | sing | 1.36Å | 0.00Å | |
C2 | N2 | doub | 1.30Å | 0.00Å | |
N2 | C3 | sing | 1.36Å | 0.00Å | |
C3 | C4 | doub | 1.40Å | 0.00Å | Aromatic |
C3 | C7 | sing | 1.41Å | 0.00Å | Aromatic |
N3 | C4 | sing | 1.32Å | 0.00Å | Aromatic |
N3 | C5 | doub | 1.32Å | 0.00Å | Aromatic |
C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
C6 | C7 | doub | 1.39Å | 0.00Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 0.00Å | |
C2 | H2 | sing | 1.08Å | 0.00Å | |
C4 | H4 | sing | 1.08Å | 0.00Å | |
C5 | H5 | sing | 1.08Å | 0.00Å | |
C6 | H6 | sing | 1.08Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C1 | N1 | 90.0° | 121.4° |
O | C1 | C7 | 90.0° | 121.4° |
N1 | C1 | C7 | 90.0° | 117.2° |
C1 | N1 | C2 | 90.0° | 120.6° |
C1 | N1 | HN1 | 90.0° | 119.7° |
C1 | C7 | C3 | 90.0° | 118.2° |
C1 | C7 | C6 | 90.0° | 122.9° |
N1 | C2 | N2 | 90.0° | 123.6° |
C2 | N1 | HN1 | 90.0° | 119.8° |
N1 | C2 | H2 | 90.0° | 118.2° |
C2 | N2 | C3 | 90.0° | 121.5° |
N2 | C2 | H2 | 90.0° | 118.2° |
N2 | C3 | C4 | 90.0° | 122.5° |
N2 | C3 | C7 | 90.0° | 119.0° |
C4 | C3 | C7 | 90.0° | 118.5° |
C3 | C4 | N3 | 90.0° | 120.0° |
C3 | C4 | H4 | 90.0° | 120.0° |
C3 | C7 | C6 | 90.0° | 118.9° |
C4 | N3 | C5 | 90.0° | 122.8° |
N3 | C4 | H4 | 90.0° | 120.0° |
N3 | C5 | C6 | 90.0° | 121.4° |
N3 | C5 | H5 | 90.0° | 119.3° |
C5 | C6 | C7 | 90.0° | 118.4° |
C6 | C5 | H5 | 90.0° | 119.3° |
C5 | C6 | H6 | 90.0° | 120.8° |
C7 | C6 | H6 | 90.0° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C1 | N1 | C7 | 90.0° | 179.7° |
O | C1 | N1 | C2 | 90.0° | 180.0° |
O | C1 | C7 | C3 | 90.0° | 179.8° |
O | C1 | C7 | C6 | 90.0° | 0.0° |
O | C1 | N1 | HN1 | 90.0° | 0.0° |
C1 | N1 | C2 | HN1 | 90.0° | 180.0° |
C1 | N1 | C2 | N2 | 90.0° | 0.0° |
N1 | C1 | C7 | C3 | 90.0° | 0.5° |
N1 | C1 | C7 | C6 | 90.0° | 179.7° |
C1 | N1 | C2 | H2 | 90.0° | 180.0° |
C7 | C1 | N1 | C2 | 90.0° | 0.3° |
C1 | C7 | C3 | N2 | 90.0° | 0.5° |
C1 | C7 | C3 | C4 | 90.0° | 179.8° |
C1 | C7 | C3 | C6 | 90.0° | 179.8° |
C1 | C7 | C6 | C5 | 90.0° | 179.3° |
C7 | C1 | N1 | HN1 | 90.0° | 179.8° |
C1 | C7 | C6 | H6 | 90.0° | 0.0° |
N1 | C2 | N2 | H2 | 90.0° | 180.0° |
N1 | C2 | N2 | C3 | 90.0° | 0.0° |
C2 | N2 | C3 | C4 | 90.0° | 180.0° |
C2 | N2 | C3 | C7 | 90.0° | 0.3° |
N2 | C2 | N1 | HN1 | 90.0° | 180.0° |
N2 | C3 | C4 | C7 | 90.0° | 179.7° |
N2 | C3 | C4 | N3 | 90.0° | 180.0° |
N2 | C3 | C7 | C6 | 90.0° | 179.7° |
C3 | N2 | C2 | H2 | 90.0° | 180.0° |
N2 | C3 | C4 | H4 | 90.0° | 0.0° |
C3 | C4 | N3 | H4 | 90.0° | 180.0° |
C3 | C4 | N3 | C5 | 90.0° | 0.0° |
C4 | C3 | C7 | C6 | 90.0° | 0.0° |
C7 | C3 | C4 | N3 | 90.0° | 0.2° |
C3 | C7 | C6 | C5 | 90.0° | 0.5° |
C7 | C3 | C4 | H4 | 90.0° | 179.8° |
C3 | C7 | C6 | H6 | 90.0° | 179.7° |
C4 | N3 | C5 | C6 | 90.0° | 0.5° |
C4 | N3 | C5 | H5 | 90.0° | 180.0° |
N3 | C5 | C6 | H5 | 90.0° | 179.5° |
N3 | C5 | C6 | C7 | 90.0° | 0.7° |
C5 | N3 | C4 | H4 | 90.0° | 180.0° |
N3 | C5 | C6 | H6 | 90.0° | 180.0° |
C5 | C6 | C7 | H6 | 90.0° | 179.3° |
C7 | C6 | C5 | H5 | 90.0° | 179.8° |
HN1 | N1 | C2 | H2 | 90.0° | 0.0° |
H5 | C5 | C6 | H6 | 90.0° | 0.5° |