G7Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C2 | sing | 1.51Å | 1.52Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C2 | O1 | doub | 1.21Å | 1.23Å | |
C2 | N1 | sing | 1.35Å | 1.33Å | |
C4 | N2 | sing | 1.47Å | 1.46Å | |
N1 | C1 | sing | 1.47Å | 1.45Å | |
N2 | C8 | sing | 1.34Å | 1.38Å | |
N2 | C5 | sing | 1.34Å | 1.38Å | |
O3 | C8 | doub | 1.21Å | 1.23Å | |
O2 | C5 | doub | 1.21Å | 1.23Å | |
C8 | C7 | sing | 1.51Å | 1.50Å | |
C5 | C6 | sing | 1.51Å | 1.50Å | |
C7 | C6 | sing | 1.54Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
N1 | H4 | sing | 0.97Å | 1.00Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C7 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C3 | H11 | sing | 1.09Å | 1.10Å | |
C4 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C3 | C4 | 117.4° | 109.5° |
C3 | C2 | O1 | 120.7° | 120.0° |
C3 | C2 | N1 | 116.7° | 120.0° |
C2 | C3 | H5 | 107.4° | 109.5° |
C2 | C3 | H11 | 107.5° | 109.4° |
C3 | C4 | N2 | 115.7° | 109.5° |
C4 | C3 | H5 | 107.5° | 109.5° |
C3 | C4 | H6 | 107.9° | 109.5° |
C4 | C3 | H11 | 107.4° | 109.5° |
C3 | C4 | H12 | 107.9° | 109.4° |
O1 | C2 | N1 | 122.3° | 120.0° |
C2 | N1 | C1 | 122.8° | 120.0° |
C2 | N1 | H4 | 118.6° | 120.0° |
C4 | N2 | C8 | 121.7° | 122.7° |
C4 | N2 | C5 | 125.2° | 122.8° |
N2 | C4 | H6 | 107.9° | 109.5° |
N2 | C4 | H12 | 107.9° | 109.5° |
N1 | C1 | H1 | 109.5° | 109.5° |
N1 | C1 | H2 | 109.5° | 109.5° |
N1 | C1 | H3 | 109.5° | 109.5° |
C1 | N1 | H4 | 118.6° | 120.0° |
C8 | N2 | C5 | 112.8° | 114.5° |
N2 | C8 | O3 | 124.3° | 125.4° |
N2 | C8 | C7 | 108.1° | 109.2° |
N2 | C5 | O2 | 124.7° | 125.4° |
N2 | C5 | C6 | 107.6° | 109.2° |
O3 | C8 | C7 | 127.6° | 125.4° |
O2 | C5 | C6 | 127.5° | 125.4° |
C8 | C7 | C6 | 104.2° | 103.6° |
C8 | C7 | H9 | 110.8° | 110.8° |
C8 | C7 | H10 | 110.8° | 110.6° |
C5 | C6 | C7 | 104.3° | 103.6° |
C5 | C6 | H7 | 110.8° | 110.6° |
C5 | C6 | H8 | 110.8° | 110.6° |
C7 | C6 | H7 | 110.8° | 110.6° |
C7 | C6 | H8 | 110.7° | 110.7° |
C6 | C7 | H9 | 110.8° | 110.7° |
C6 | C7 | H10 | 110.8° | 110.6° |
H1 | C1 | H2 | 109.4° | 109.4° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.4° | 109.5° |
H5 | C3 | H11 | 109.5° | 109.4° |
H6 | C4 | H12 | 109.5° | 109.5° |
H7 | C6 | H8 | 109.5° | 110.5° |
H9 | C7 | H10 | 109.5° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C3 | C4 | H5 | 121.1° | 120.0° |
C2 | C3 | C4 | H11 | 121.1° | 120.0° |
C3 | C2 | O1 | N1 | 174.0° | 180.0° |
C2 | C3 | C4 | N2 | 10.4° | 180.0° |
C3 | C2 | N1 | C1 | 153.5° | 180.0° |
C3 | C2 | N1 | H4 | 26.5° | 0.0° |
C2 | C3 | H5 | H11 | 116.4° | 119.9° |
C2 | C3 | C4 | H6 | 131.4° | 60.0° |
C2 | C3 | C4 | H12 | 110.5° | 60.0° |
C4 | C3 | C2 | O1 | 116.0° | 0.0° |
C4 | C3 | C2 | N1 | 69.7° | 180.0° |
C3 | C4 | N2 | H6 | 120.9° | 120.0° |
C3 | C4 | N2 | H12 | 120.9° | 120.0° |
C3 | C4 | N2 | C8 | 104.8° | 90.1° |
C3 | C4 | N2 | C5 | 82.0° | 89.7° |
C4 | C3 | H5 | H11 | 116.4° | 120.0° |
C3 | C4 | H6 | H12 | 117.1° | 120.0° |
O1 | C2 | N1 | C1 | 20.7° | 0.0° |
O1 | C2 | N1 | H4 | 159.3° | 179.9° |
O1 | C2 | C3 | H5 | 5.1° | 120.1° |
O1 | C2 | C3 | H11 | 122.9° | 120.0° |
C2 | N1 | C1 | H4 | 180.0° | 180.0° |
C2 | N1 | C1 | H1 | 180.0° | 60.0° |
C2 | N1 | C1 | H2 | 60.0° | 60.0° |
C2 | N1 | C1 | H3 | 60.0° | 180.0° |
N1 | C2 | C3 | H5 | 169.2° | 60.0° |
N1 | C2 | C3 | H11 | 51.4° | 60.0° |
C4 | N2 | C8 | C5 | 174.0° | 179.7° |
C4 | N2 | C8 | O3 | 2.9° | 0.1° |
C4 | N2 | C5 | O2 | 12.0° | 0.0° |
C4 | N2 | C8 | C7 | 176.1° | 179.8° |
C4 | N2 | C5 | C6 | 164.7° | 180.0° |
N2 | C4 | C3 | H5 | 110.7° | 60.0° |
N2 | C4 | H6 | H12 | 117.2° | 120.0° |
N2 | C4 | C3 | H11 | 131.6° | 60.0° |
N1 | C1 | H1 | H2 | 120.0° | 120.0° |
N1 | C1 | H1 | H3 | 120.0° | 120.0° |
N1 | C1 | H2 | H3 | 120.0° | 120.0° |
N2 | C8 | O3 | C7 | 178.9° | 179.9° |
C8 | N2 | C5 | O2 | 174.2° | 179.8° |
C8 | N2 | C5 | C6 | 9.0° | 0.3° |
N2 | C8 | C7 | C6 | 12.1° | 0.4° |
C8 | N2 | C4 | H6 | 134.3° | 30.0° |
N2 | C8 | C7 | H9 | 131.3° | 118.3° |
N2 | C8 | C7 | H10 | 107.1° | 118.8° |
C8 | N2 | C4 | H12 | 16.1° | 150.0° |
C5 | N2 | C8 | O3 | 176.9° | 179.6° |
N2 | C5 | O2 | C6 | 176.1° | 180.0° |
C5 | N2 | C8 | C7 | 2.1° | 0.4° |
N2 | C5 | C6 | C7 | 16.1° | 0.0° |
C5 | N2 | C4 | H6 | 38.9° | 150.3° |
N2 | C5 | C6 | H7 | 135.3° | 118.5° |
N2 | C5 | C6 | H8 | 103.1° | 118.7° |
C5 | N2 | C4 | H12 | 157.1° | 30.3° |
O3 | C8 | C7 | C6 | 166.9° | 179.7° |
O3 | C8 | C7 | H9 | 47.7° | 61.7° |
O3 | C8 | C7 | H10 | 73.9° | 61.2° |
O2 | C5 | C6 | C7 | 167.3° | 180.0° |
O2 | C5 | C6 | H7 | 48.1° | 61.4° |
O2 | C5 | C6 | H8 | 73.5° | 61.3° |
C8 | C7 | C6 | C5 | 16.7° | 0.2° |
C8 | C7 | C6 | H9 | 119.2° | 118.7° |
C8 | C7 | C6 | H10 | 119.2° | 118.5° |
C8 | C7 | C6 | H7 | 135.9° | 118.7° |
C8 | C7 | C6 | H8 | 102.5° | 118.4° |
C8 | C7 | H9 | H10 | 122.4° | 122.9° |
C5 | C6 | C7 | H7 | 119.2° | 118.5° |
C5 | C6 | C7 | H8 | 119.2° | 118.6° |
C5 | C6 | H7 | H8 | 122.4° | 122.8° |
C5 | C6 | C7 | H9 | 135.8° | 118.5° |
C5 | C6 | C7 | H10 | 102.5° | 118.7° |
C7 | C6 | H7 | H8 | 122.4° | 123.0° |
C6 | C7 | H9 | H10 | 122.4° | 122.8° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H1 | C1 | N1 | H4 | 0.0° | 120.1° |
H2 | C1 | N1 | H4 | 120.0° | 120.0° |
H3 | C1 | N1 | H4 | 120.0° | 0.0° |
H5 | C3 | C4 | H6 | 10.2° | 180.0° |
H5 | C3 | C4 | H12 | 128.4° | 60.0° |
H6 | C4 | C3 | H11 | 107.5° | 60.0° |
H7 | C6 | C7 | H9 | 105.0° | 0.0° |
H7 | C6 | C7 | H10 | 16.7° | 122.8° |
H8 | C6 | C7 | H9 | 16.6° | 122.9° |
H8 | C6 | C7 | H10 | 138.3° | 0.1° |
H11 | C3 | C4 | H12 | 10.7° | 180.0° |