2IM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2 | C1 | doub | 1.29Å | 1.34Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
C1 | N1 | sing | 1.38Å | 1.34Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
N1 | C4 | sing | 1.47Å | 1.49Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | C3 | sing | 1.53Å | 1.54Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N2 | HN2 | 107.7° | 120.0° |
N2 | C1 | N1 | 120.1° | 121.3° |
N2 | C1 | C2 | 116.4° | 121.3° |
N1 | C1 | C2 | 120.3° | 117.4° |
C1 | N1 | C4 | 123.0° | 117.9° |
C1 | N1 | HN1 | 118.5° | 120.9° |
C1 | C2 | C3 | 115.4° | 108.4° |
C1 | C2 | H21 | 106.2° | 109.6° |
C1 | C2 | H22 | 107.6° | 109.7° |
C4 | N1 | HN1 | 118.5° | 121.2° |
N1 | C4 | C5 | 112.1° | 108.8° |
N1 | C4 | H41 | 108.0° | 109.7° |
N1 | C4 | H42 | 108.6° | 109.5° |
C5 | C4 | H41 | 108.0° | 109.6° |
C5 | C4 | H42 | 108.6° | 109.6° |
C4 | C5 | C3 | 109.2° | 109.5° |
C4 | C5 | H51 | 109.6° | 109.5° |
C4 | C5 | H52 | 109.6° | 109.5° |
H41 | C4 | H42 | 111.5° | 109.7° |
C3 | C5 | H51 | 109.7° | 109.4° |
C3 | C5 | H52 | 109.6° | 109.4° |
C5 | C3 | C2 | 110.3° | 109.3° |
C5 | C3 | H31 | 109.0° | 109.5° |
C5 | C3 | H32 | 109.2° | 109.5° |
H51 | C5 | H52 | 109.3° | 109.5° |
C2 | C3 | H31 | 109.0° | 109.5° |
C2 | C3 | H32 | 109.2° | 109.5° |
C3 | C2 | H21 | 106.2° | 109.6° |
C3 | C2 | H22 | 107.5° | 109.7° |
H31 | C3 | H32 | 110.2° | 109.6° |
H21 | C2 | H22 | 114.3° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | N1 | C2 | 158.7° | 179.7° |
N2 | C1 | N1 | C4 | 172.6° | 133.3° |
N2 | C1 | N1 | HN1 | 7.4° | 46.9° |
N2 | C1 | C2 | C3 | 177.3° | 132.4° |
N2 | C1 | C2 | H21 | 60.0° | 107.9° |
N2 | C1 | C2 | H22 | 62.8° | 12.7° |
HN2 | N2 | C1 | N1 | 159.5° | 0.3° |
HN2 | N2 | C1 | C2 | 0.0° | 180.0° |
C1 | N1 | C4 | HN1 | 180.0° | 179.8° |
C1 | N1 | C4 | C5 | 32.8° | 49.3° |
C1 | N1 | C4 | H41 | 86.1° | 169.2° |
C1 | N1 | C4 | H42 | 152.8° | 70.5° |
N1 | C1 | C2 | C3 | 17.8° | 47.3° |
N1 | C1 | C2 | H21 | 99.5° | 72.4° |
N1 | C1 | C2 | H22 | 137.8° | 167.0° |
C2 | C1 | N1 | C4 | 13.9° | 46.3° |
C2 | C1 | N1 | HN1 | 166.1° | 133.4° |
C1 | C2 | C3 | C5 | 40.1° | 54.6° |
C1 | C2 | C3 | H21 | 117.3° | 119.7° |
C1 | C2 | C3 | H22 | 120.0° | 119.7° |
C1 | C2 | C3 | H31 | 79.6° | 174.6° |
C1 | C2 | C3 | H32 | 160.1° | 65.3° |
C1 | C2 | H21 | H22 | 118.4° | 120.6° |
N1 | C4 | C5 | H41 | 118.9° | 119.9° |
N1 | C4 | C5 | H42 | 120.0° | 119.7° |
N1 | C4 | H41 | H42 | 119.3° | 120.2° |
N1 | C4 | C5 | C3 | 53.9° | 56.6° |
N1 | C4 | C5 | H51 | 174.1° | 63.3° |
N1 | C4 | C5 | H52 | 66.0° | 176.6° |
HN1 | N1 | C4 | C5 | 147.2° | 130.5° |
HN1 | N1 | C4 | H41 | 93.9° | 10.6° |
HN1 | N1 | C4 | H42 | 27.2° | 109.8° |
C5 | C4 | H41 | H42 | 119.3° | 120.3° |
C4 | C5 | C3 | H51 | 120.1° | 120.0° |
C4 | C5 | C3 | H52 | 120.0° | 120.0° |
C4 | C5 | H51 | H52 | 120.1° | 120.0° |
C4 | C5 | C3 | C2 | 58.2° | 62.2° |
C4 | C5 | C3 | H31 | 61.4° | 177.8° |
C4 | C5 | C3 | H32 | 178.2° | 57.7° |
H41 | C4 | C5 | C3 | 65.0° | 176.6° |
H41 | C4 | C5 | H51 | 55.2° | 56.6° |
H41 | C4 | C5 | H52 | 175.1° | 63.4° |
H42 | C4 | C5 | C3 | 173.9° | 63.0° |
H42 | C4 | C5 | H51 | 65.9° | 177.0° |
H42 | C4 | C5 | H52 | 54.0° | 57.0° |
C3 | C5 | H51 | H52 | 120.1° | 119.9° |
C5 | C3 | C2 | H31 | 119.6° | 120.0° |
C5 | C3 | C2 | H32 | 120.0° | 119.9° |
C5 | C3 | H31 | H32 | 119.8° | 120.1° |
C5 | C3 | C2 | H21 | 77.2° | 65.1° |
C5 | C3 | C2 | H22 | 160.1° | 174.3° |
H51 | C5 | C3 | C2 | 178.3° | 57.8° |
H51 | C5 | C3 | H31 | 58.7° | 62.2° |
H51 | C5 | C3 | H32 | 61.7° | 177.7° |
H52 | C5 | C3 | C2 | 61.7° | 177.8° |
H52 | C5 | C3 | H31 | 178.6° | 57.8° |
H52 | C5 | C3 | H32 | 58.2° | 62.3° |
C2 | C3 | H31 | H32 | 119.8° | 120.1° |
C3 | C2 | H21 | H22 | 118.3° | 120.5° |
H31 | C3 | C2 | H21 | 163.2° | 54.9° |
H31 | C3 | C2 | H22 | 40.5° | 65.7° |
H32 | C3 | C2 | H21 | 42.8° | 175.1° |
H32 | C3 | C2 | H22 | 79.9° | 54.5° |