P24
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.47Å | 1.63Å | |
N1 | HN11 | sing | 1.01Å | 1.02Å | |
N1 | HN12 | sing | 1.01Å | 1.02Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C3 | N4 | sing | 1.47Å | 1.63Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
N4 | C5 | sing | 1.47Å | 1.59Å | |
N4 | HN4 | sing | 1.01Å | 1.02Å | |
C5 | C6 | sing | 1.53Å | 1.66Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C6 | C7 | sing | 1.53Å | 1.71Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C7 | C8 | sing | 1.53Å | 1.64Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
C8 | N9 | sing | 1.47Å | 1.59Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
N9 | HN91 | sing | 1.01Å | 1.02Å | |
N9 | HN92 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | HN11 | 118.3° | 106.7° |
C2 | N1 | HN12 | 109.1° | 106.8° |
N1 | C2 | C3 | 118.3° | 109.5° |
N1 | C2 | H21 | 109.0° | 109.5° |
N1 | C2 | H22 | 109.0° | 109.4° |
HN11 | N1 | HN12 | 109.0° | 106.7° |
C3 | C2 | H21 | 109.0° | 109.5° |
C3 | C2 | H22 | 109.1° | 109.4° |
C2 | C3 | N4 | 117.0° | 109.5° |
C2 | C3 | H31 | 109.5° | 109.5° |
C2 | C3 | H32 | 109.5° | 109.4° |
H21 | C2 | H22 | 101.0° | 109.5° |
N4 | C3 | H31 | 109.5° | 109.5° |
N4 | C3 | H32 | 109.5° | 109.4° |
C3 | N4 | C5 | 111.9° | 106.8° |
C3 | N4 | HN4 | 111.3° | 106.7° |
H31 | C3 | H32 | 100.7° | 109.4° |
C5 | N4 | HN4 | 111.3° | 106.8° |
N4 | C5 | C6 | 113.2° | 109.5° |
N4 | C5 | H51 | 110.8° | 109.5° |
N4 | C5 | H52 | 110.8° | 109.4° |
C6 | C5 | H51 | 110.8° | 109.6° |
C6 | C5 | H52 | 110.9° | 109.5° |
C5 | C6 | C7 | 98.9° | 109.5° |
C5 | C6 | H61 | 116.3° | 109.5° |
C5 | C6 | H62 | 116.3° | 109.4° |
H51 | C5 | H52 | 99.5° | 109.4° |
C7 | C6 | H61 | 116.3° | 109.5° |
C7 | C6 | H62 | 116.3° | 109.5° |
C6 | C7 | C8 | 101.3° | 109.5° |
C6 | C7 | H71 | 115.3° | 109.5° |
C6 | C7 | H72 | 115.3° | 109.5° |
H61 | C6 | H62 | 94.1° | 109.5° |
C8 | C7 | H71 | 115.3° | 109.4° |
C8 | C7 | H72 | 115.3° | 109.4° |
C7 | C8 | N9 | 101.0° | 109.5° |
C7 | C8 | H81 | 115.5° | 109.5° |
C7 | C8 | H82 | 115.4° | 109.4° |
H71 | C7 | H72 | 95.2° | 109.4° |
N9 | C8 | H81 | 115.4° | 109.5° |
N9 | C8 | H82 | 115.4° | 109.5° |
C8 | N9 | HN91 | 101.1° | 106.8° |
C8 | N9 | HN92 | 115.5° | 106.7° |
H81 | C8 | H82 | 95.0° | 109.4° |
HN91 | N9 | HN92 | 115.4° | 106.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | HN11 | HN12 | 125.4° | 113.9° |
N1 | C2 | C3 | H21 | 125.2° | 120.1° |
N1 | C2 | C3 | H22 | 125.3° | 120.0° |
N1 | C2 | H21 | H22 | 114.7° | 119.9° |
N1 | C2 | C3 | N4 | 89.4° | 180.0° |
N1 | C2 | C3 | H31 | 145.4° | 59.9° |
N1 | C2 | C3 | H32 | 35.8° | 60.0° |
HN11 | N1 | C2 | C3 | 179.9° | 66.1° |
HN11 | N1 | C2 | H21 | 54.7° | 173.8° |
HN11 | N1 | C2 | H22 | 54.7° | 53.8° |
HN12 | N1 | C2 | C3 | 54.7° | 180.0° |
HN12 | N1 | C2 | H21 | 180.0° | 60.0° |
HN12 | N1 | C2 | H22 | 70.6° | 60.0° |
C3 | C2 | H21 | H22 | 114.8° | 119.9° |
C2 | C3 | N4 | H31 | 125.2° | 120.1° |
C2 | C3 | N4 | H32 | 125.2° | 120.0° |
C2 | C3 | H31 | H32 | 115.3° | 119.9° |
C2 | C3 | N4 | C5 | 111.3° | 180.0° |
C2 | C3 | N4 | HN4 | 14.0° | 66.1° |
H21 | C2 | C3 | N4 | 35.8° | 59.9° |
H21 | C2 | C3 | H31 | 89.4° | 180.0° |
H21 | C2 | C3 | H32 | 161.1° | 60.0° |
H22 | C2 | C3 | N4 | 145.3° | 60.0° |
H22 | C2 | C3 | H31 | 20.1° | 60.1° |
H22 | C2 | C3 | H32 | 89.4° | NaN° |
N4 | C3 | H31 | H32 | 115.3° | 119.9° |
C3 | N4 | C5 | HN4 | 125.3° | 113.9° |
C3 | N4 | C5 | C6 | 155.0° | 180.0° |
C3 | N4 | C5 | H51 | 29.8° | 59.8° |
C3 | N4 | C5 | H52 | 79.7° | 60.1° |
H31 | C3 | N4 | C5 | 13.9° | 59.9° |
H31 | C3 | N4 | HN4 | 139.2° | 173.8° |
H32 | C3 | N4 | C5 | 123.5° | 60.1° |
H32 | C3 | N4 | HN4 | 111.2° | 53.8° |
N4 | C5 | C6 | H51 | 125.2° | 120.1° |
N4 | C5 | C6 | H52 | 125.2° | 119.9° |
N4 | C5 | H51 | H52 | 116.7° | 119.9° |
N4 | C5 | C6 | C7 | 160.6° | 179.9° |
N4 | C5 | C6 | H61 | 74.1° | 59.9° |
N4 | C5 | C6 | H62 | 35.4° | 60.1° |
HN4 | N4 | C5 | C6 | 29.7° | 66.1° |
HN4 | N4 | C5 | H51 | 95.5° | 173.7° |
HN4 | N4 | C5 | H52 | 155.0° | 53.8° |
C6 | C5 | H51 | H52 | 116.8° | 120.0° |
C5 | C6 | C7 | H61 | 125.3° | 120.0° |
C5 | C6 | C7 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H62 | 122.0° | 119.9° |
C5 | C6 | C7 | C8 | 178.9° | 180.0° |
C5 | C6 | C7 | H71 | 55.8° | 60.0° |
C5 | C6 | C7 | H72 | 53.7° | 60.0° |
H51 | C5 | C6 | C7 | 35.4° | 60.0° |
H51 | C5 | C6 | H61 | 160.7° | 180.0° |
H51 | C5 | C6 | H62 | 89.8° | 60.1° |
H52 | C5 | C6 | C7 | 74.2° | 60.0° |
H52 | C5 | C6 | H61 | 51.1° | 60.0° |
H52 | C5 | C6 | H62 | 160.6° | 179.9° |
C7 | C6 | H61 | H62 | 122.1° | 120.0° |
C6 | C7 | C8 | H71 | 125.3° | 120.0° |
C6 | C7 | C8 | H72 | 125.2° | 120.1° |
C6 | C7 | H71 | H72 | 121.2° | 120.0° |
C6 | C7 | C8 | N9 | 55.4° | 180.0° |
C6 | C7 | C8 | H81 | 179.3° | 59.9° |
C6 | C7 | C8 | H82 | 69.8° | 60.0° |
H61 | C6 | C7 | C8 | 53.7° | 60.0° |
H61 | C6 | C7 | H71 | 178.9° | 180.0° |
H61 | C6 | C7 | H72 | 71.5° | 60.0° |
H62 | C6 | C7 | C8 | 55.8° | 60.0° |
H62 | C6 | C7 | H71 | 69.4° | 60.0° |
H62 | C6 | C7 | H72 | 179.0° | 180.0° |
C8 | C7 | H71 | H72 | 121.2° | 119.9° |
C7 | C8 | N9 | H81 | 125.3° | 120.1° |
C7 | C8 | N9 | H82 | 125.3° | 120.0° |
C7 | C8 | H81 | H82 | 121.3° | 119.9° |
C7 | C8 | N9 | HN91 | 180.0° | 180.0° |
C7 | C8 | N9 | HN92 | 54.7° | 66.3° |
H71 | C7 | C8 | N9 | 69.8° | 60.0° |
H71 | C7 | C8 | H81 | 55.4° | 179.9° |
H71 | C7 | C8 | H82 | 164.9° | 60.0° |
H72 | C7 | C8 | N9 | 179.4° | 60.0° |
H72 | C7 | C8 | H81 | 54.1° | 60.2° |
H72 | C7 | C8 | H82 | 55.4° | 179.9° |
N9 | C8 | H81 | H82 | 121.3° | 120.0° |
C8 | N9 | HN91 | HN92 | 125.3° | 113.8° |
H81 | C8 | N9 | HN91 | 54.7° | 59.9° |
H81 | C8 | N9 | HN92 | 70.6° | 53.8° |
H82 | C8 | N9 | HN91 | 54.8° | 60.1° |
H82 | C8 | N9 | HN92 | 180.0° | 173.8° |