PUT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2 | C4 | sing | 1.47Å | 1.49Å | |
N2 | HN21 | sing | 1.01Å | 1.02Å | |
N2 | HN22 | sing | 1.01Å | 1.02Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C1 | N1 | sing | 1.47Å | 1.50Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
N1 | HN11 | sing | 1.01Å | 1.02Å | |
N1 | HN12 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | N2 | HN21 | 110.6° | 106.7° |
C4 | N2 | HN22 | 111.8° | 106.8° |
N2 | C4 | C3 | 110.5° | 109.5° |
N2 | C4 | H41 | 111.8° | 109.5° |
N2 | C4 | H42 | 111.8° | 109.5° |
HN21 | N2 | HN22 | 111.8° | 106.6° |
C3 | C4 | H41 | 111.8° | 109.5° |
C3 | C4 | H42 | 111.8° | 109.5° |
C4 | C3 | C2 | 113.7° | 109.5° |
C4 | C3 | H31 | 110.7° | 109.5° |
C4 | C3 | H32 | 110.6° | 109.5° |
H41 | C4 | H42 | 98.7° | 109.4° |
C2 | C3 | H31 | 110.7° | 109.5° |
C2 | C3 | H32 | 110.7° | 109.5° |
C3 | C2 | C1 | 112.5° | 109.5° |
C3 | C2 | H21 | 111.1° | 109.5° |
C3 | C2 | H22 | 111.1° | 109.5° |
H31 | C3 | H32 | 99.6° | 109.4° |
C1 | C2 | H21 | 111.1° | 109.5° |
C1 | C2 | H22 | 111.1° | 109.5° |
C2 | C1 | N1 | 110.0° | 109.5° |
C2 | C1 | H11 | 112.0° | 109.5° |
C2 | C1 | H12 | 112.0° | 109.5° |
H21 | C2 | H22 | 99.3° | 109.4° |
N1 | C1 | H11 | 112.0° | 109.5° |
N1 | C1 | H12 | 112.0° | 109.5° |
C1 | N1 | HN11 | 109.9° | 106.8° |
C1 | N1 | HN12 | 112.0° | 106.7° |
H11 | C1 | H12 | 98.3° | 109.4° |
HN11 | N1 | HN12 | 112.0° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | N2 | HN21 | HN22 | 125.2° | 113.9° |
N2 | C4 | C3 | H41 | 125.2° | 120.1° |
N2 | C4 | C3 | H42 | 125.2° | 120.0° |
N2 | C4 | H41 | H42 | 117.7° | 120.0° |
N2 | C4 | C3 | C2 | 170.1° | 180.0° |
N2 | C4 | C3 | H31 | 64.6° | 60.0° |
N2 | C4 | C3 | H32 | 44.8° | 59.9° |
HN21 | N2 | C4 | C3 | 180.0° | 66.2° |
HN21 | N2 | C4 | H41 | 54.8° | 53.8° |
HN21 | N2 | C4 | H42 | 54.8° | 173.7° |
HN22 | N2 | C4 | C3 | 54.7° | 180.0° |
HN22 | N2 | C4 | H41 | 180.0° | 59.9° |
HN22 | N2 | C4 | H42 | 70.5° | 60.0° |
C3 | C4 | H41 | H42 | 117.7° | 119.9° |
C4 | C3 | C2 | H31 | 125.3° | 120.0° |
C4 | C3 | C2 | H32 | 125.3° | 120.1° |
C4 | C3 | H31 | H32 | 116.5° | 119.9° |
C4 | C3 | C2 | C1 | 179.4° | 180.0° |
C4 | C3 | C2 | H21 | 55.4° | 59.9° |
C4 | C3 | C2 | H22 | 54.1° | 60.0° |
H41 | C4 | C3 | C2 | 44.9° | 59.9° |
H41 | C4 | C3 | H31 | 170.2° | 180.0° |
H41 | C4 | C3 | H32 | 80.4° | 60.1° |
H42 | C4 | C3 | C2 | 64.6° | 60.0° |
H42 | C4 | C3 | H31 | 60.6° | 60.1° |
H42 | C4 | C3 | H32 | 170.0° | 180.0° |
C2 | C3 | H31 | H32 | 116.5° | 120.0° |
C3 | C2 | C1 | H21 | 125.3° | 120.1° |
C3 | C2 | C1 | H22 | 125.2° | 120.0° |
C3 | C2 | H21 | H22 | 117.0° | 120.0° |
C3 | C2 | C1 | N1 | 169.6° | 180.0° |
C3 | C2 | C1 | H11 | 65.1° | 60.0° |
C3 | C2 | C1 | H12 | 44.3° | 59.9° |
H31 | C3 | C2 | C1 | 54.1° | 60.0° |
H31 | C3 | C2 | H21 | 179.4° | 180.0° |
H31 | C3 | C2 | H22 | 71.2° | 60.0° |
H32 | C3 | C2 | C1 | 55.3° | 59.9° |
H32 | C3 | C2 | H21 | 69.9° | 60.1° |
H32 | C3 | C2 | H22 | 179.4° | 180.0° |
C1 | C2 | H21 | H22 | 117.0° | 119.9° |
C2 | C1 | N1 | H11 | 125.3° | 120.0° |
C2 | C1 | N1 | H12 | 125.3° | 120.1° |
C2 | C1 | H11 | H12 | 117.9° | 119.9° |
C2 | C1 | N1 | HN11 | 180.0° | 180.0° |
C2 | C1 | N1 | HN12 | 54.7° | 66.2° |
H21 | C2 | C1 | N1 | 44.4° | 59.9° |
H21 | C2 | C1 | H11 | 169.7° | 180.0° |
H21 | C2 | C1 | H12 | 80.9° | 60.1° |
H22 | C2 | C1 | N1 | 65.1° | 60.0° |
H22 | C2 | C1 | H11 | 60.1° | 60.1° |
H22 | C2 | C1 | H12 | 169.6° | 180.0° |
N1 | C1 | H11 | H12 | 117.9° | 120.0° |
C1 | N1 | HN11 | HN12 | 125.2° | 113.9° |
H11 | C1 | N1 | HN11 | 54.7° | 60.0° |
H11 | C1 | N1 | HN12 | 70.5° | 173.8° |
H12 | C1 | N1 | HN11 | 54.7° | 59.9° |
H12 | C1 | N1 | HN12 | 180.0° | 53.9° |