66Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C2 | sing | 1.54Å | 1.49Å | |
C3 | C4 | doub | 1.32Å | 1.37Å | |
C2 | C6 | sing | 1.54Å | 1.56Å | |
C2 | C1 | sing | 1.57Å | 1.55Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
O1 | C6 | doub | 1.21Å | 1.17Å | |
C6 | N1 | sing | 1.36Å | 1.45Å | |
C1 | C5 | sing | 1.57Å | 1.56Å | |
C5 | N1 | sing | 1.49Å | 1.44Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
N1 | H7 | sing | 0.97Å | 1.00Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.08Å | 1.08Å | |
C4 | H6 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C3 | C4 | 106.1° | 107.4° |
C3 | C2 | C6 | 110.3° | 103.4° |
C3 | C2 | C1 | 99.8° | 99.8° |
C3 | C2 | H1 | 116.0° | 117.5° |
C2 | C3 | H5 | 126.9° | 126.3° |
C3 | C4 | C5 | 107.2° | 107.7° |
C4 | C3 | H5 | 126.9° | 126.4° |
C3 | C4 | H6 | 126.4° | 126.2° |
C6 | C2 | C1 | 98.9° | 99.2° |
C2 | C6 | O1 | 126.5° | 126.8° |
C2 | C6 | N1 | 101.2° | 106.4° |
C6 | C2 | H1 | 114.8° | 116.9° |
C2 | C1 | C5 | 92.4° | 90.9° |
C2 | C1 | H3 | 113.6° | 113.0° |
C2 | C1 | H4 | 113.5° | 113.1° |
C1 | C2 | H1 | 114.9° | 117.2° |
C4 | C5 | C1 | 98.3° | 99.8° |
C4 | C5 | N1 | 106.7° | 104.0° |
C5 | C4 | H6 | 126.4° | 126.2° |
C4 | C5 | H2 | 116.0° | 116.4° |
O1 | C6 | N1 | 132.3° | 126.8° |
C6 | N1 | C5 | 109.7° | 107.6° |
C6 | N1 | H7 | 125.1° | 126.2° |
C1 | C5 | N1 | 98.8° | 100.2° |
C5 | C1 | H3 | 113.6° | 112.9° |
C5 | C1 | H4 | 113.6° | 112.9° |
C1 | C5 | H2 | 115.9° | 116.7° |
C5 | N1 | H7 | 125.1° | 126.2° |
N1 | C5 | H2 | 118.1° | 117.0° |
H3 | C1 | H4 | 109.4° | 112.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C3 | C4 | H5 | 180.0° | 179.9° |
C3 | C2 | C6 | C1 | 104.0° | 102.4° |
C3 | C2 | C6 | H1 | 133.2° | 130.7° |
C3 | C2 | C1 | H1 | 124.8° | 127.9° |
C2 | C3 | C4 | C5 | 4.6° | 0.3° |
C3 | C2 | C6 | O1 | 111.5° | 113.3° |
C3 | C2 | C6 | N1 | 67.5° | 66.7° |
C3 | C2 | C1 | C5 | 56.2° | 52.5° |
C3 | C2 | C1 | H3 | 60.9° | 63.0° |
C3 | C2 | C1 | H4 | 173.2° | 167.9° |
C2 | C3 | C4 | H6 | 175.4° | 179.8° |
C4 | C3 | C2 | C6 | 63.6° | 66.1° |
C4 | C3 | C2 | C1 | 39.7° | 35.9° |
C3 | C4 | C5 | H6 | 180.0° | 180.0° |
C3 | C4 | C5 | C1 | 31.9° | 35.4° |
C3 | C4 | C5 | N1 | 70.0° | 67.8° |
C4 | C3 | C2 | H1 | 163.8° | 163.6° |
C3 | C4 | C5 | H2 | 156.1° | 161.9° |
C6 | C2 | C1 | H1 | 122.7° | 126.7° |
C2 | C6 | O1 | N1 | 178.7° | 180.0° |
C6 | C2 | C1 | C5 | 56.3° | 52.9° |
C2 | C6 | N1 | C5 | 0.5° | 0.5° |
C6 | C2 | C1 | H3 | 173.4° | 168.4° |
C6 | C2 | C1 | H4 | 60.7° | 62.6° |
C2 | C6 | N1 | H7 | 179.5° | 179.6° |
C6 | C2 | C3 | H5 | 116.4° | 113.9° |
C2 | C1 | C5 | C4 | 51.8° | 52.3° |
C1 | C2 | C6 | O1 | 144.5° | 144.3° |
C1 | C2 | C6 | N1 | 36.5° | 35.7° |
C2 | C1 | C5 | H3 | 117.1° | 115.5° |
C2 | C1 | C5 | H4 | 117.0° | 115.7° |
C2 | C1 | C5 | N1 | 56.7° | 54.0° |
C2 | C1 | H3 | H4 | 128.0° | 129.5° |
C1 | C2 | C3 | H5 | 140.3° | 144.2° |
C2 | C1 | C5 | H2 | 176.0° | 178.6° |
C4 | C5 | N1 | C6 | 64.3° | 66.3° |
C4 | C5 | C1 | N1 | 108.5° | 106.3° |
C4 | C5 | C1 | H2 | 124.3° | 126.3° |
C4 | C5 | N1 | H2 | 132.8° | 130.0° |
C4 | C5 | C1 | H3 | 65.3° | 63.2° |
C4 | C5 | C1 | H4 | 168.8° | 167.9° |
C4 | C5 | N1 | H7 | 115.7° | 113.6° |
C5 | C4 | C3 | H5 | 175.4° | 179.8° |
O1 | C6 | N1 | C5 | 178.4° | 179.6° |
O1 | C6 | N1 | H7 | 1.6° | 0.3° |
O1 | C6 | C2 | H1 | 21.8° | 17.4° |
C6 | N1 | C5 | C1 | 37.2° | 36.6° |
C6 | N1 | C5 | H7 | 180.0° | 179.9° |
N1 | C6 | C2 | H1 | 159.3° | 162.6° |
C6 | N1 | C5 | H2 | 162.9° | 163.7° |
C1 | C5 | N1 | H2 | 125.7° | 127.2° |
C5 | C1 | H3 | H4 | 128.1° | 129.1° |
C1 | C5 | N1 | H7 | 142.8° | 143.5° |
C5 | C1 | C2 | H1 | 179.0° | 179.6° |
C1 | C5 | C4 | H6 | 148.1° | 144.6° |
N1 | C5 | C1 | H3 | 173.8° | 169.5° |
N1 | C5 | C1 | H4 | 60.3° | 61.6° |
N1 | C5 | C4 | H6 | 110.1° | 112.3° |
H3 | C1 | C2 | H1 | 63.9° | 65.0° |
H3 | C1 | C5 | H2 | 59.0° | 63.1° |
H4 | C1 | C2 | H1 | 62.0° | 64.1° |
H4 | C1 | C5 | H2 | 66.9° | 65.7° |
H7 | N1 | C5 | H2 | 17.1° | 16.4° |
H1 | C2 | C3 | H5 | 16.3° | 16.4° |
H5 | C3 | C4 | H6 | 4.6° | 0.2° |
H6 | C4 | C5 | H2 | 23.9° | 18.0° |