TEM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | sing | 1.43Å | 1.23Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | C9 | sing | 1.53Å | 1.52Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | N4 | sing | 1.46Å | 1.47Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
N4 | C5 | sing | 1.36Å | 1.43Å | |
N4 | HN4 | sing | 0.97Å | 1.02Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | C7 | sing | 1.40Å | 1.49Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C7 | O8 | doub | 1.21Å | 1.22Å | |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C9 | C10 | sing | 1.51Å | 1.52Å | |
C9 | H91 | sing | 1.09Å | 1.12Å | |
C9 | H92 | sing | 1.09Å | 1.12Å | |
C10 | O11 | doub | 1.21Å | 1.43Å | |
C10 | H10 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O1 | HO1 | 119.5° | 106.8° |
O1 | C2 | C3 | 119.5° | 109.5° |
O1 | C2 | C9 | 123.1° | 109.4° |
O1 | C2 | H2 | 63.1° | 109.5° |
C3 | C2 | C9 | 117.3° | 109.5° |
C3 | C2 | H2 | 126.3° | 109.4° |
C2 | C3 | N4 | 108.4° | 109.5° |
C2 | C3 | H31 | 112.6° | 109.5° |
C2 | C3 | H32 | 112.6° | 109.5° |
C9 | C2 | H2 | 86.9° | 109.5° |
C2 | C9 | C10 | 110.4° | 109.5° |
C2 | C9 | H91 | 111.9° | 109.4° |
C2 | C9 | H92 | 111.9° | 109.5° |
N4 | C3 | H31 | 112.6° | 109.5° |
N4 | C3 | H32 | 112.6° | 109.5° |
C3 | N4 | C5 | 117.0° | 120.1° |
C3 | N4 | HN4 | 109.4° | 119.9° |
H31 | C3 | H32 | 97.8° | 109.4° |
C5 | N4 | HN4 | 109.5° | 120.0° |
N4 | C5 | C6 | 131.6° | 120.1° |
N4 | C5 | H5 | 118.2° | 119.9° |
C6 | C5 | H5 | 110.2° | 120.0° |
C5 | C6 | C7 | 117.8° | 120.1° |
C5 | C6 | H6 | 116.1° | 120.0° |
C7 | C6 | H6 | 126.1° | 120.0° |
C6 | C7 | O8 | 121.4° | 120.0° |
C6 | C7 | H7 | 129.3° | 120.0° |
O8 | C7 | H7 | 109.3° | 120.0° |
C10 | C9 | H91 | 111.9° | 109.5° |
C10 | C9 | H92 | 111.9° | 109.4° |
C9 | C10 | O11 | 113.9° | 120.0° |
C9 | C10 | H10 | 125.8° | 120.0° |
H91 | C9 | H92 | 98.5° | 109.5° |
O11 | C10 | H10 | 120.3° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | C3 | C9 | 175.7° | 120.0° |
O1 | C2 | C3 | H2 | 76.7° | 120.0° |
O1 | C2 | C9 | H2 | 54.8° | 120.0° |
O1 | C2 | C3 | N4 | 2.6° | 60.0° |
O1 | C2 | C3 | H31 | 122.6° | 60.0° |
O1 | C2 | C3 | H32 | 127.9° | 180.0° |
O1 | C2 | C9 | C10 | 42.7° | 60.0° |
O1 | C2 | C9 | H91 | 168.0° | 180.0° |
O1 | C2 | C9 | H92 | 82.6° | 60.0° |
HO1 | O1 | C2 | C3 | 180.0° | 60.0° |
HO1 | O1 | C2 | C9 | 4.5° | 60.0° |
HO1 | O1 | C2 | H2 | 61.7° | 180.0° |
C3 | C2 | C9 | H2 | 129.7° | 120.0° |
C2 | C3 | N4 | H31 | 125.2° | 120.0° |
C2 | C3 | N4 | H32 | 125.3° | 120.1° |
C2 | C3 | H31 | H32 | 118.5° | 120.0° |
C2 | C3 | N4 | C5 | 89.3° | 180.0° |
C2 | C3 | N4 | HN4 | 145.4° | 0.1° |
C3 | C2 | C9 | C10 | 141.8° | 180.0° |
C3 | C2 | C9 | H91 | 16.5° | 60.0° |
C3 | C2 | C9 | H92 | 92.9° | 60.0° |
C9 | C2 | C3 | N4 | 178.3° | 180.0° |
C9 | C2 | C3 | H31 | 53.1° | 60.0° |
C9 | C2 | C3 | H32 | 56.4° | 60.0° |
C2 | C9 | C10 | H91 | 125.3° | 120.0° |
C2 | C9 | C10 | H92 | 125.3° | 120.0° |
C2 | C9 | H91 | H92 | 117.8° | 120.0° |
C2 | C9 | C10 | O11 | 60.4° | 120.0° |
C2 | C9 | C10 | H10 | 119.7° | 59.9° |
H2 | C2 | C3 | N4 | 74.1° | 60.0° |
H2 | C2 | C3 | H31 | 160.7° | 180.0° |
H2 | C2 | C3 | H32 | 51.3° | 60.0° |
H2 | C2 | C9 | C10 | 12.1° | 60.0° |
H2 | C2 | C9 | H91 | 113.2° | 60.0° |
H2 | C2 | C9 | H92 | 137.4° | 180.0° |
N4 | C3 | H31 | H32 | 118.5° | 120.0° |
C3 | N4 | C5 | HN4 | 125.2° | 179.9° |
C3 | N4 | C5 | C6 | 21.6° | 180.0° |
C3 | N4 | C5 | H5 | 158.4° | 0.0° |
H31 | C3 | N4 | C5 | 145.5° | 60.0° |
H31 | C3 | N4 | HN4 | 20.2° | 120.1° |
H32 | C3 | N4 | C5 | 36.0° | 59.9° |
H32 | C3 | N4 | HN4 | 89.3° | 120.0° |
N4 | C5 | C6 | H5 | 180.0° | 180.0° |
N4 | C5 | C6 | C7 | 177.4° | 180.0° |
N4 | C5 | C6 | H6 | 2.6° | 0.0° |
HN4 | N4 | C5 | C6 | 146.8° | 0.0° |
HN4 | N4 | C5 | H5 | 33.2° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | O8 | 178.0° | 180.0° |
C5 | C6 | C7 | H7 | 2.0° | 0.0° |
H5 | C5 | C6 | C7 | 2.6° | 0.0° |
H5 | C5 | C6 | H6 | 177.4° | NaN° |
C6 | C7 | O8 | H7 | 180.0° | 180.0° |
H6 | C6 | C7 | O8 | 2.0° | 0.0° |
H6 | C6 | C7 | H7 | 178.0° | 180.0° |
C10 | C9 | H91 | H92 | 117.8° | 120.0° |
C9 | C10 | O11 | H10 | 180.0° | 179.9° |
H91 | C9 | C10 | O11 | 174.4° | 0.0° |
H91 | C9 | C10 | H10 | 5.6° | 179.9° |
H92 | C9 | C10 | O11 | 64.9° | 120.0° |
H92 | C9 | C10 | H10 | 115.0° | 60.1° |