2CZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | N1 | sing | 1.48Å | 1.45Å | |
C2 | C3 | sing | 1.50Å | 1.49Å | |
N1 | C7 | sing | 1.48Å | 1.48Å | |
C9 | C8 | sing | 1.51Å | 1.52Å | |
O8 | C8 | doub | 1.21Å | 1.21Å | |
C8 | N2 | sing | 1.35Å | 1.44Å | |
N2 | C3 | sing | 1.46Å | 1.44Å | |
O6 | C6 | sing | 1.43Å | 1.43Å | |
C7 | C6 | sing | 1.50Å | 1.51Å | |
C3 | C4 | sing | 1.54Å | 1.53Å | |
C6 | C5 | sing | 1.54Å | 1.53Å | |
C4 | C5 | sing | 1.46Å | 1.50Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
N1 | H02 | sing | 1.01Å | 1.00Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
C2 | H03 | sing | 1.09Å | 1.10Å | |
N2 | H04 | sing | 0.97Å | 1.00Å | |
C3 | H05 | sing | 1.09Å | 1.10Å | |
C4 | H06 | sing | 1.09Å | 1.10Å | |
O4 | H07 | sing | 0.97Å | 0.95Å | |
C5 | H08 | sing | 1.09Å | 1.10Å | |
O5 | H09 | sing | 0.97Å | 0.95Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
O6 | H11 | sing | 0.97Å | 0.95Å | |
C7 | H15 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H01 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C2 | C3 | 116.4° | 112.8° |
C2 | N1 | C7 | 118.2° | 114.7° |
C2 | N1 | H02 | 107.2° | 110.9° |
N1 | C2 | H14 | 107.7° | 108.8° |
N1 | C2 | H03 | 107.7° | 108.8° |
C2 | C3 | N2 | 110.1° | 109.7° |
C2 | C3 | C4 | 113.9° | 108.5° |
C3 | C2 | H14 | 107.7° | 108.8° |
C3 | C2 | H03 | 107.7° | 108.8° |
C2 | C3 | H05 | 109.1° | 109.6° |
N1 | C7 | C6 | 121.2° | 112.8° |
C7 | N1 | H02 | 107.3° | 111.0° |
N1 | C7 | H15 | 106.5° | 108.8° |
N1 | C7 | H12 | 106.5° | 108.8° |
C9 | C8 | O8 | 120.3° | 120.0° |
C9 | C8 | N2 | 119.1° | 120.0° |
C8 | C9 | H16 | 109.5° | 109.4° |
C8 | C9 | H13 | 109.5° | 109.4° |
C8 | C9 | H01 | 109.4° | 109.5° |
O8 | C8 | N2 | 120.6° | 120.0° |
C8 | N2 | C3 | 122.0° | 120.0° |
C8 | N2 | H04 | 119.0° | 120.0° |
N2 | C3 | C4 | 105.4° | 109.6° |
C3 | N2 | H04 | 119.0° | 120.0° |
N2 | C3 | H05 | 109.7° | 109.6° |
O6 | C6 | C7 | 101.6° | 109.8° |
O6 | C6 | C5 | 109.6° | 109.7° |
O6 | C6 | H10 | 109.9° | 109.7° |
C6 | O6 | H11 | 109.5° | 114.0° |
C7 | C6 | C5 | 117.9° | 108.5° |
C7 | C6 | H10 | 108.9° | 109.6° |
C6 | C7 | H15 | 106.5° | 108.8° |
C6 | C7 | H12 | 106.5° | 108.8° |
C3 | C4 | C5 | 113.6° | 112.2° |
C3 | C4 | O4 | 109.9° | 108.9° |
C4 | C3 | H05 | 108.5° | 109.8° |
C3 | C4 | H06 | 108.8° | 108.9° |
C6 | C5 | C4 | 118.0° | 112.2° |
C6 | C5 | O5 | 111.8° | 108.9° |
C6 | C5 | H08 | 107.1° | 108.9° |
C5 | C6 | H10 | 108.6° | 109.6° |
C5 | C4 | O4 | 104.9° | 108.9° |
C4 | C5 | O5 | 103.8° | 108.9° |
C5 | C4 | H06 | 109.1° | 108.9° |
C4 | C5 | H08 | 107.4° | 109.0° |
O4 | C4 | H06 | 110.4° | 108.9° |
C4 | O4 | H07 | 109.5° | 114.0° |
O5 | C5 | H08 | 108.3° | 108.9° |
C5 | O5 | H09 | 109.5° | 114.0° |
H14 | C2 | H03 | 109.5° | 108.7° |
H15 | C7 | H12 | 109.5° | 108.7° |
H16 | C9 | H13 | 109.4° | 109.5° |
H16 | C9 | H01 | 109.5° | 109.5° |
H13 | C9 | H01 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C2 | C3 | H14 | 121.0° | 120.8° |
N1 | C2 | C3 | H03 | 121.0° | 120.9° |
C2 | N1 | C7 | H02 | 121.3° | 126.7° |
N1 | C2 | C3 | N2 | 77.4° | 146.6° |
C2 | N1 | C7 | C6 | 3.2° | 41.9° |
N1 | C2 | C3 | C4 | 40.7° | 93.7° |
N1 | C2 | H14 | H03 | 116.8° | 118.4° |
N1 | C2 | C3 | H05 | 162.1° | 26.2° |
C2 | N1 | C7 | H15 | 118.4° | 78.9° |
C2 | N1 | C7 | H12 | 124.8° | 162.8° |
C3 | C2 | N1 | C7 | 73.8° | 41.9° |
C2 | C3 | N2 | C8 | 121.6° | 84.9° |
C2 | C3 | N2 | C4 | 123.2° | 119.0° |
C2 | C3 | N2 | H05 | 120.1° | 120.4° |
C2 | C3 | C4 | H05 | 121.7° | 119.8° |
C2 | C3 | C4 | C5 | 49.1° | 78.5° |
C2 | C3 | C4 | O4 | 166.2° | 160.8° |
C3 | C2 | N1 | H02 | 164.9° | 84.9° |
C3 | C2 | H14 | H03 | 116.9° | 118.4° |
C2 | C3 | N2 | H04 | 58.4° | 95.0° |
C2 | C3 | C4 | H06 | 72.7° | 42.1° |
N1 | C7 | C6 | O6 | 71.8° | 146.5° |
N1 | C7 | C6 | H15 | 121.6° | 120.8° |
N1 | C7 | C6 | H12 | 121.6° | 120.9° |
N1 | C7 | C6 | C5 | 48.0° | 93.7° |
C7 | N1 | C2 | H14 | 165.1° | 78.9° |
C7 | N1 | C2 | H03 | 47.1° | 162.8° |
N1 | C7 | C6 | H10 | 172.3° | 26.0° |
N1 | C7 | H15 | H12 | 114.7° | 118.4° |
C9 | C8 | O8 | N2 | 177.9° | 180.0° |
C9 | C8 | N2 | C3 | 178.4° | 180.0° |
C9 | C8 | N2 | H04 | 1.6° | 0.1° |
C8 | C9 | H16 | H13 | 120.0° | 120.0° |
C8 | C9 | H16 | H01 | 120.0° | 120.0° |
C8 | C9 | H13 | H01 | 120.0° | 120.0° |
O8 | C8 | N2 | C3 | 3.6° | 0.0° |
O8 | C8 | N2 | H04 | 176.3° | 179.9° |
O8 | C8 | C9 | H16 | 0.0° | 180.0° |
O8 | C8 | C9 | H13 | 120.0° | 60.0° |
O8 | C8 | C9 | H01 | 120.0° | 60.0° |
C8 | N2 | C3 | H04 | 180.0° | 179.9° |
C8 | N2 | C3 | C4 | 115.1° | 156.0° |
C8 | N2 | C3 | H05 | 1.6° | 35.4° |
N2 | C8 | C9 | H16 | 177.9° | 0.0° |
N2 | C8 | C9 | H13 | 62.1° | 120.0° |
N2 | C8 | C9 | H01 | 57.9° | 120.0° |
N2 | C3 | C4 | H05 | 117.5° | 120.5° |
N2 | C3 | C4 | C5 | 169.9° | 161.7° |
N2 | C3 | C4 | O4 | 72.9° | 41.0° |
N2 | C3 | C2 | H14 | 43.6° | 92.6° |
N2 | C3 | C2 | H03 | 161.6° | 25.7° |
N2 | C3 | C4 | H06 | 48.1° | 77.6° |
O6 | C6 | C7 | C5 | 119.8° | 119.8° |
O6 | C6 | C7 | H10 | 115.9° | 120.5° |
O6 | C6 | C5 | H10 | 120.1° | 120.4° |
O6 | C6 | C5 | C4 | 113.6° | 161.5° |
O6 | C6 | C5 | O5 | 126.1° | 40.9° |
O6 | C6 | C5 | H08 | 7.6° | 77.8° |
O6 | C6 | C7 | H15 | 49.8° | 92.7° |
O6 | C6 | C7 | H12 | 166.5° | 25.6° |
C7 | C6 | C5 | H10 | 124.5° | 119.7° |
C7 | C6 | C5 | C4 | 1.8° | 78.6° |
C7 | C6 | C5 | O5 | 118.4° | 160.8° |
C6 | C7 | N1 | H02 | 124.4° | 168.6° |
C7 | C6 | C5 | H08 | 123.1° | 42.1° |
C7 | C6 | O6 | H11 | 180.0° | 60.9° |
C6 | C7 | H15 | H12 | 114.7° | 118.4° |
C3 | C4 | C5 | C6 | 70.6° | 61.1° |
C3 | C4 | C5 | O4 | 120.0° | 120.7° |
C3 | C4 | C5 | H06 | 121.6° | 120.6° |
C3 | C4 | O4 | H06 | 120.0° | 118.6° |
C3 | C4 | C5 | O5 | 165.0° | 178.2° |
C4 | C3 | C2 | H14 | 161.7° | 27.1° |
C4 | C3 | C2 | H03 | 80.3° | 145.4° |
C4 | C3 | N2 | H04 | 64.9° | 24.1° |
C3 | C4 | O4 | H07 | 180.0° | 180.0° |
C3 | C4 | C5 | H08 | 50.4° | 59.5° |
C6 | C5 | C4 | O5 | 124.3° | 120.6° |
C6 | C5 | C4 | H08 | 121.1° | 120.6° |
C6 | C5 | C4 | O4 | 169.3° | 178.2° |
C6 | C5 | O5 | H08 | 117.8° | 118.6° |
C6 | C5 | C4 | H06 | 51.0° | 59.5° |
C6 | C5 | O5 | H09 | 180.0° | 57.4° |
C5 | C6 | O6 | H11 | 54.5° | 180.0° |
C5 | C6 | C7 | H15 | 169.6° | 27.1° |
C5 | C6 | C7 | H12 | 73.7° | 145.5° |
C5 | C4 | O4 | H06 | 117.5° | 118.7° |
C4 | C5 | O5 | H08 | 114.0° | 118.8° |
C5 | C4 | C3 | H05 | 72.6° | 41.3° |
C5 | C4 | O4 | H07 | 57.5° | 57.3° |
C4 | C5 | O5 | H09 | 51.7° | 180.0° |
C4 | C5 | C6 | H10 | 126.3° | 41.1° |
O4 | C4 | C5 | O5 | 45.0° | 57.5° |
O4 | C4 | C3 | H05 | 44.5° | 79.4° |
O4 | C4 | C5 | H08 | 69.6° | 61.2° |
O5 | C5 | C4 | H06 | 73.4° | 61.1° |
O5 | C5 | C6 | H10 | 6.1° | 79.5° |
H02 | N1 | C2 | H14 | 43.9° | 154.3° |
H02 | N1 | C2 | H03 | 74.1° | 36.0° |
H02 | N1 | C7 | H15 | 2.8° | 47.8° |
H02 | N1 | C7 | H12 | 113.9° | 70.5° |
H14 | C2 | C3 | H05 | 76.9° | 147.0° |
H03 | C2 | C3 | H05 | 41.1° | 94.7° |
H04 | N2 | C3 | H05 | 178.4° | 144.6° |
H05 | C3 | C4 | H06 | 165.6° | 161.9° |
H06 | C4 | O4 | H07 | 59.9° | 61.4° |
H06 | C4 | C5 | H08 | 172.1° | 179.9° |
H08 | C5 | O5 | H09 | 62.2° | 61.2° |
H08 | C5 | C6 | H10 | 112.5° | 161.8° |
H10 | C6 | O6 | H11 | 64.8° | 59.6° |
H10 | C6 | C7 | H15 | 66.1° | 146.8° |
H10 | C6 | C7 | H12 | 50.6° | 94.9° |
H16 | C9 | H13 | H01 | 120.0° | 120.1° |