6MH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C5 | sing | 1.51Å | 1.49Å | |
O1 | N1 | sing | 1.42Å | 1.33Å | |
C5 | N1 | sing | 1.36Å | 1.40Å | |
C5 | C4 | doub | 1.35Å | 1.33Å | |
N1 | C1 | sing | 1.35Å | 1.33Å | |
C4 | C3 | sing | 1.40Å | 1.39Å | |
C1 | S1 | doub | 1.71Å | 1.74Å | |
C1 | C2 | sing | 1.40Å | 1.39Å | |
C3 | C2 | doub | 1.36Å | 1.34Å | |
C6 | H1 | sing | 1.09Å | 1.10Å | |
C6 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C3 | H5 | sing | 1.08Å | 1.08Å | |
C2 | H6 | sing | 1.08Å | 1.08Å | |
O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C5 | N1 | 120.0° | 119.7° |
C6 | C5 | C4 | 120.0° | 119.7° |
C5 | C6 | H1 | 109.5° | 109.5° |
C5 | C6 | H2 | 109.5° | 109.5° |
C5 | C6 | H3 | 109.5° | 109.5° |
O1 | N1 | C5 | 120.0° | 119.6° |
O1 | N1 | C1 | 120.0° | 119.6° |
N1 | O1 | H7 | 109.5° | 114.0° |
N1 | C5 | C4 | 120.0° | 120.6° |
C5 | N1 | C1 | 120.0° | 120.8° |
C5 | C4 | C3 | 120.0° | 120.0° |
C5 | C4 | H4 | 120.0° | 120.0° |
N1 | C1 | S1 | 120.0° | 120.0° |
N1 | C1 | C2 | 120.0° | 120.1° |
C4 | C3 | C2 | 120.0° | 119.3° |
C3 | C4 | H4 | 120.0° | 120.0° |
C4 | C3 | H5 | 120.0° | 120.4° |
S1 | C1 | C2 | 120.0° | 119.9° |
C1 | C2 | C3 | 120.0° | 119.3° |
C1 | C2 | H6 | 120.0° | 120.3° |
C2 | C3 | H5 | 120.0° | 120.3° |
C3 | C2 | H6 | 120.0° | 120.4° |
H1 | C6 | H2 | 109.4° | 109.5° |
H1 | C6 | H3 | 109.5° | 109.4° |
H2 | C6 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C5 | N1 | O1 | 0.5° | 0.0° |
C6 | C5 | N1 | C4 | 177.0° | 179.8° |
C6 | C5 | N1 | C1 | 178.1° | 179.8° |
C6 | C5 | C4 | C3 | 178.8° | 180.0° |
C5 | C6 | H1 | H2 | 120.0° | 120.1° |
C5 | C6 | H1 | H3 | 120.0° | 120.0° |
C5 | C6 | H2 | H3 | 120.0° | 120.0° |
C6 | C5 | C4 | H4 | 1.3° | 0.1° |
O1 | N1 | C5 | C1 | 178.6° | 179.8° |
O1 | N1 | C5 | C4 | 177.4° | 179.8° |
O1 | N1 | C1 | S1 | 0.6° | 0.0° |
O1 | N1 | C1 | C2 | 179.2° | 179.7° |
N1 | C5 | C4 | C3 | 1.8° | 0.2° |
C5 | N1 | C1 | S1 | 179.1° | 179.8° |
C5 | N1 | C1 | C2 | 0.6° | 0.5° |
N1 | C5 | C6 | H1 | 180.0° | 90.0° |
N1 | C5 | C6 | H2 | 60.0° | 150.0° |
N1 | C5 | C6 | H3 | 60.0° | 29.9° |
N1 | C5 | C4 | H4 | 178.3° | 179.7° |
C5 | N1 | O1 | H7 | 178.9° | 180.0° |
C4 | C5 | N1 | C1 | 1.1° | 0.4° |
C5 | C4 | C3 | H4 | 180.0° | 179.9° |
C5 | C4 | C3 | C2 | 0.7° | 0.0° |
C4 | C5 | C6 | H1 | 3.0° | 89.8° |
C4 | C5 | C6 | H2 | 117.0° | 30.2° |
C4 | C5 | C6 | H3 | 123.0° | 150.3° |
C5 | C4 | C3 | H5 | 179.3° | 180.0° |
N1 | C1 | S1 | C2 | 179.7° | 179.7° |
N1 | C1 | C2 | C3 | 1.7° | 0.3° |
N1 | C1 | C2 | H6 | 178.4° | 179.8° |
C1 | N1 | O1 | H7 | 0.3° | 0.2° |
C4 | C3 | C2 | C1 | 1.1° | 0.0° |
C4 | C3 | C2 | H5 | 180.0° | 180.0° |
C4 | C3 | C2 | H6 | 179.0° | 180.0° |
S1 | C1 | C2 | C3 | 178.0° | 180.0° |
S1 | C1 | C2 | H6 | 1.9° | 0.0° |
C1 | C2 | C3 | H6 | 180.0° | 179.9° |
C1 | C2 | C3 | H5 | 178.9° | 180.0° |
C2 | C3 | C4 | H4 | 179.3° | 179.9° |
H1 | C6 | H2 | H3 | 120.0° | 119.9° |
H4 | C4 | C3 | H5 | 0.6° | 0.0° |
H5 | C3 | C2 | H6 | 1.0° | 0.1° |