1CB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | sing | 1.54Å | 1.54Å | |
C2 | C3 | sing | 1.54Å | 1.54Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C1 | C4 | sing | 1.54Å | 1.55Å | |
C1 | N2 | sing | 1.47Å | 1.48Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.55Å | 1.54Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | C3 | sing | 1.55Å | 1.53Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
N2 | HN21 | sing | 1.01Å | 1.00Å | |
N2 | HN22 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 105.6° | 106.6° |
C1 | C2 | H21 | 111.6° | 110.1° |
C1 | C2 | H22 | 110.8° | 110.0° |
C2 | C1 | C4 | 105.6° | 106.6° |
C2 | C1 | N2 | 113.3° | 110.0° |
C2 | C1 | H1 | 110.9° | 110.0° |
C3 | C2 | H21 | 111.6° | 110.1° |
C3 | C2 | H22 | 110.8° | 110.0° |
C2 | C3 | C5 | 105.3° | 104.1° |
C2 | C3 | H31 | 111.8° | 110.5° |
C2 | C3 | H32 | 110.9° | 110.5° |
H21 | C2 | H22 | 106.5° | 110.1° |
C4 | C1 | N2 | 113.4° | 110.1° |
C4 | C1 | H1 | 110.9° | 110.1° |
C1 | C4 | C5 | 107.0° | 104.2° |
C1 | C4 | H41 | 110.9° | 110.5° |
C1 | C4 | H42 | 110.3° | 110.4° |
N2 | C1 | H1 | 102.8° | 110.0° |
C1 | N2 | HN21 | 109.5° | 106.7° |
C1 | N2 | HN22 | 109.5° | 106.7° |
C5 | C4 | H41 | 110.8° | 110.5° |
C5 | C4 | H42 | 110.3° | 110.5° |
C4 | C5 | C3 | 106.8° | 102.7° |
C4 | C5 | H51 | 110.9° | 110.7° |
C4 | C5 | H52 | 110.4° | 110.7° |
H41 | C4 | H42 | 107.6° | 110.5° |
C3 | C5 | H51 | 110.9° | 110.8° |
C3 | C5 | H52 | 110.4° | 110.7° |
C5 | C3 | H31 | 111.8° | 110.5° |
C5 | C3 | H32 | 110.9° | 110.5° |
H51 | C5 | H52 | 107.5° | 110.9° |
H31 | C3 | H32 | 106.3° | 110.6° |
HN21 | N2 | HN22 | 109.5° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | H21 | 121.5° | 119.3° |
C1 | C2 | C3 | H22 | 120.0° | 119.2° |
C1 | C2 | H21 | H22 | 121.0° | 121.4° |
C2 | C1 | C4 | N2 | 124.7° | 119.3° |
C2 | C1 | C4 | H1 | 120.3° | 119.3° |
C2 | C1 | N2 | H1 | 119.8° | 121.3° |
C2 | C1 | C4 | C5 | 10.1° | 23.6° |
C2 | C1 | C4 | H41 | 131.0° | 95.1° |
C2 | C1 | C4 | H42 | 109.9° | 142.3° |
C1 | C2 | C3 | C5 | 31.7° | 23.6° |
C1 | C2 | C3 | H31 | 153.3° | 142.3° |
C1 | C2 | C3 | H32 | 88.3° | 95.0° |
C2 | C1 | N2 | HN21 | 132.9° | 180.0° |
C2 | C1 | N2 | HN22 | 107.1° | 66.3° |
C3 | C2 | H21 | H22 | 121.1° | 121.4° |
C3 | C2 | C1 | C4 | 25.7° | 0.0° |
C3 | C2 | C1 | N2 | 150.5° | 119.3° |
C3 | C2 | C1 | H1 | 94.5° | 119.4° |
C2 | C3 | C5 | C4 | 25.4° | 38.0° |
C2 | C3 | C5 | H31 | 121.6° | 118.6° |
C2 | C3 | C5 | H32 | 120.0° | 118.7° |
C2 | C3 | C5 | H51 | 146.4° | 80.3° |
C2 | C3 | C5 | H52 | 94.6° | 156.3° |
C2 | C3 | H31 | H32 | 121.1° | 122.7° |
H21 | C2 | C1 | C4 | 147.2° | 119.3° |
H21 | C2 | C1 | N2 | 88.0° | 121.4° |
H21 | C2 | C1 | H1 | 27.0° | 0.1° |
H21 | C2 | C3 | C5 | 153.2° | 95.7° |
H21 | C2 | C3 | H31 | 85.2° | 22.9° |
H21 | C2 | C3 | H32 | 33.2° | 145.7° |
H22 | C2 | C1 | C4 | 94.3° | 119.2° |
H22 | C2 | C1 | N2 | 30.5° | 0.1° |
H22 | C2 | C1 | H1 | 145.5° | 121.4° |
H22 | C2 | C3 | C5 | 88.2° | 142.9° |
H22 | C2 | C3 | H31 | 33.3° | 98.5° |
H22 | C2 | C3 | H32 | 151.8° | 24.2° |
C4 | C1 | N2 | H1 | 119.7° | 121.5° |
C1 | C4 | C5 | H41 | 121.0° | 118.7° |
C1 | C4 | C5 | H42 | 120.0° | 118.6° |
C1 | C4 | H41 | H42 | 120.6° | 122.5° |
C1 | C4 | C5 | C3 | 9.4° | 38.0° |
C1 | C4 | C5 | H51 | 130.4° | 80.3° |
C1 | C4 | C5 | H52 | 110.6° | 156.3° |
C4 | C1 | N2 | HN21 | 12.4° | 62.8° |
C4 | C1 | N2 | HN22 | 132.5° | 50.9° |
N2 | C1 | C4 | C5 | 134.8° | 142.9° |
N2 | C1 | C4 | H41 | 104.2° | 24.2° |
N2 | C1 | C4 | H42 | 14.8° | 98.4° |
C1 | N2 | HN21 | HN22 | 120.0° | 113.8° |
H1 | C1 | C4 | C5 | 110.2° | 95.7° |
H1 | C1 | C4 | H41 | 10.8° | 145.6° |
H1 | C1 | C4 | H42 | 129.8° | 23.0° |
H1 | C1 | N2 | HN21 | 107.3° | 58.6° |
H1 | C1 | N2 | HN22 | 12.7° | 172.4° |
C5 | C4 | H41 | H42 | 120.7° | 122.7° |
C4 | C5 | C3 | H51 | 121.0° | 118.3° |
C4 | C5 | C3 | H52 | 120.0° | 118.3° |
C4 | C5 | H51 | H52 | 120.7° | 123.3° |
C4 | C5 | C3 | H31 | 146.9° | 156.6° |
C4 | C5 | C3 | H32 | 94.6° | 80.7° |
H41 | C4 | C5 | C3 | 111.6° | 80.7° |
H41 | C4 | C5 | H51 | 9.4° | 161.0° |
H41 | C4 | C5 | H52 | 128.4° | 37.6° |
H42 | C4 | C5 | C3 | 129.4° | 156.6° |
H42 | C4 | C5 | H51 | 109.6° | 38.3° |
H42 | C4 | C5 | H52 | 9.4° | 85.1° |
C3 | C5 | H51 | H52 | 120.7° | 123.3° |
C5 | C3 | H31 | H32 | 121.1° | 122.6° |
H51 | C5 | C3 | H31 | 92.0° | 38.3° |
H51 | C5 | C3 | H32 | 26.4° | 161.0° |
H52 | C5 | C3 | H31 | 26.9° | 85.1° |
H52 | C5 | C3 | H32 | 145.4° | 37.6° |