GX7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C2 | doub | 1.22Å | 1.24Å | |
N | C2 | sing | 1.35Å | 1.38Å | |
N | C3 | sing | 1.35Å | 1.44Å | |
O1 | C3 | doub | 1.22Å | 1.14Å | |
C2 | C1 | sing | 1.42Å | 1.45Å | |
C3 | N1 | sing | 1.35Å | 1.37Å | |
C1 | N2 | sing | 1.41Å | 1.40Å | |
C1 | C | doub | 1.35Å | 1.41Å | |
N1 | C | sing | 1.37Å | 1.28Å | |
N2 | C4 | sing | 1.47Å | 1.45Å | |
C9 | C4 | sing | 1.53Å | 1.57Å | |
C9 | C8 | sing | 1.53Å | 1.49Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C8 | C7 | sing | 1.53Å | 1.55Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C | H10 | sing | 1.08Å | 1.08Å | |
N | H11 | sing | 0.97Å | 1.00Å | |
N2 | H13 | sing | 0.97Å | 1.00Å | |
C9 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
N1 | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C2 | N | 118.6° | 120.3° |
O | C2 | C1 | 128.9° | 120.3° |
C2 | N | C3 | 123.1° | 120.4° |
N | C2 | C1 | 112.5° | 119.4° |
C2 | N | H11 | 118.4° | 119.9° |
N | C3 | O1 | 126.3° | 119.5° |
N | C3 | N1 | 119.9° | 121.0° |
C3 | N | H11 | 118.5° | 119.8° |
O1 | C3 | N1 | 113.8° | 119.4° |
C2 | C1 | N2 | 117.3° | 120.5° |
C2 | C1 | C | 121.7° | 119.1° |
C3 | N1 | C | 119.9° | 120.6° |
C3 | N1 | H17 | 120.1° | 119.7° |
N2 | C1 | C | 120.9° | 120.5° |
C1 | N2 | C4 | 117.4° | 120.0° |
C1 | N2 | H13 | 107.5° | 120.0° |
C1 | C | N1 | 123.0° | 119.6° |
C1 | C | H10 | 118.5° | 120.2° |
N1 | C | H10 | 118.5° | 120.2° |
C | N1 | H17 | 120.1° | 119.7° |
N2 | C4 | C9 | 103.9° | 109.5° |
N2 | C4 | C5 | 115.6° | 109.5° |
N2 | C4 | H1 | 108.8° | 109.4° |
C4 | N2 | H13 | 107.4° | 120.0° |
C4 | C9 | C8 | 111.1° | 109.5° |
C9 | C4 | C5 | 113.1° | 109.5° |
C9 | C4 | H1 | 107.3° | 109.4° |
C4 | C9 | H15 | 109.1° | 109.4° |
C4 | C9 | H16 | 109.0° | 109.5° |
C9 | C8 | C7 | 112.0° | 109.5° |
C9 | C8 | H8 | 108.8° | 109.5° |
C9 | C8 | H9 | 108.8° | 109.5° |
C8 | C9 | H15 | 109.1° | 109.5° |
C8 | C9 | H16 | 109.0° | 109.5° |
C4 | C5 | C6 | 104.1° | 109.5° |
C5 | C4 | H1 | 107.9° | 109.5° |
C4 | C5 | H2 | 110.8° | 109.5° |
C4 | C5 | H3 | 110.8° | 109.4° |
C5 | C6 | C7 | 112.2° | 109.4° |
C6 | C5 | H2 | 110.8° | 109.5° |
C6 | C5 | H3 | 110.8° | 109.5° |
C5 | C6 | H4 | 108.8° | 109.5° |
C5 | C6 | H5 | 108.7° | 109.5° |
C8 | C7 | C6 | 113.4° | 109.5° |
C8 | C7 | H6 | 108.5° | 109.4° |
C8 | C7 | H7 | 108.5° | 109.5° |
C7 | C8 | H8 | 108.8° | 109.5° |
C7 | C8 | H9 | 108.8° | 109.5° |
C7 | C6 | H4 | 108.8° | 109.5° |
C7 | C6 | H5 | 108.8° | 109.5° |
C6 | C7 | H6 | 108.5° | 109.5° |
C6 | C7 | H7 | 108.5° | 109.5° |
H2 | C5 | H3 | 109.5° | 109.4° |
H4 | C6 | H5 | 109.5° | 109.5° |
H6 | C7 | H7 | 109.4° | 109.4° |
H8 | C8 | H9 | 109.5° | 109.5° |
H15 | C9 | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C2 | N | C1 | 178.0° | 179.7° |
O | C2 | N | C3 | 176.0° | 180.0° |
O | C2 | C1 | N2 | 7.4° | 0.3° |
O | C2 | C1 | C | 175.7° | 179.8° |
O | C2 | N | H11 | 4.0° | 0.2° |
C2 | N | C3 | H11 | 180.0° | 179.8° |
C2 | N | C3 | O1 | 178.2° | 180.0° |
C2 | N | C3 | N1 | 1.4° | 0.0° |
N | C2 | C1 | N2 | 174.9° | 180.0° |
N | C2 | C1 | C | 2.0° | 0.5° |
N | C3 | O1 | N1 | 179.6° | 179.9° |
C3 | N | C2 | C1 | 1.9° | 0.3° |
N | C3 | N1 | C | 0.6° | 0.0° |
N | C3 | N1 | H17 | 179.4° | 179.7° |
O1 | C3 | N1 | C | 179.0° | 180.0° |
O1 | C3 | N | H11 | 1.8° | 0.2° |
O1 | C3 | N1 | H17 | 1.0° | 0.2° |
C2 | C1 | N2 | C | 177.0° | 179.5° |
C2 | C1 | C | N1 | 1.5° | 0.5° |
C2 | C1 | N2 | C4 | 163.6° | 180.0° |
C2 | C1 | C | H10 | 178.5° | 179.4° |
C1 | C2 | N | H11 | 178.0° | 179.9° |
C2 | C1 | N2 | H13 | 75.3° | 0.0° |
C3 | N1 | C | C1 | 0.7° | 0.2° |
C3 | N1 | C | H17 | 180.0° | 179.8° |
C3 | N1 | C | H10 | 179.3° | 179.7° |
N1 | C3 | N | H11 | 178.6° | 179.8° |
N2 | C1 | C | N1 | 175.3° | 180.0° |
C1 | N2 | C4 | H13 | 121.2° | 180.0° |
C1 | N2 | C4 | C9 | 68.3° | 85.0° |
C1 | N2 | C4 | C5 | 167.2° | 155.0° |
C1 | N2 | C4 | H1 | 45.7° | 35.0° |
N2 | C1 | C | H10 | 4.7° | 0.0° |
C1 | C | N1 | H10 | 180.0° | 179.9° |
C | C1 | N2 | C4 | 19.4° | 0.5° |
C | C1 | N2 | H13 | 101.7° | 179.5° |
C1 | C | N1 | H17 | 179.2° | 180.0° |
N2 | C4 | C9 | C5 | 126.1° | 120.0° |
N2 | C4 | C9 | H1 | 115.1° | 120.0° |
N2 | C4 | C9 | C8 | 139.8° | 180.0° |
N2 | C4 | C5 | H1 | 122.0° | 120.0° |
N2 | C4 | C5 | C6 | 175.4° | 180.0° |
N2 | C4 | C5 | H2 | 56.3° | 60.0° |
N2 | C4 | C5 | H3 | 65.5° | 60.0° |
N2 | C4 | C9 | H15 | 19.5° | 60.0° |
N2 | C4 | C9 | H16 | 100.0° | 59.9° |
C4 | C9 | C8 | H15 | 120.3° | 120.0° |
C4 | C9 | C8 | H16 | 120.2° | 120.0° |
C9 | C4 | C5 | H1 | 118.5° | 120.0° |
C9 | C4 | C5 | C6 | 65.0° | 60.0° |
C4 | C9 | C8 | C7 | 44.0° | 60.0° |
C9 | C4 | C5 | H2 | 175.8° | 180.0° |
C9 | C4 | C5 | H3 | 54.1° | 60.1° |
C4 | C9 | C8 | H8 | 76.4° | 60.0° |
C4 | C9 | C8 | H9 | 164.4° | 180.0° |
C9 | C4 | N2 | H13 | 170.6° | 95.0° |
C4 | C9 | H15 | H16 | 119.2° | 119.9° |
C8 | C9 | C4 | C5 | 13.7° | 60.0° |
C9 | C8 | C7 | H8 | 120.4° | 120.0° |
C9 | C8 | C7 | H9 | 120.4° | 120.0° |
C9 | C8 | C7 | C6 | 50.7° | 60.0° |
C8 | C9 | C4 | H1 | 105.1° | 60.0° |
C9 | C8 | C7 | H6 | 171.3° | 180.0° |
C9 | C8 | C7 | H7 | 69.9° | 60.0° |
C9 | C8 | H8 | H9 | 118.8° | 120.0° |
C8 | C9 | H15 | H16 | 119.2° | 120.0° |
C4 | C5 | C6 | H2 | 119.1° | 120.0° |
C4 | C5 | C6 | H3 | 119.1° | 120.0° |
C4 | C5 | C6 | C7 | 58.2° | 60.0° |
C4 | C5 | H2 | H3 | 122.5° | 120.0° |
C4 | C5 | C6 | H4 | 62.3° | 59.9° |
C4 | C5 | C6 | H5 | 178.6° | 180.0° |
C5 | C4 | N2 | H13 | 46.1° | 25.0° |
C5 | C4 | C9 | H15 | 106.5° | 60.1° |
C5 | C4 | C9 | H16 | 134.0° | 180.0° |
C5 | C6 | C7 | C8 | 3.2° | 60.0° |
C5 | C6 | C7 | H4 | 120.4° | 120.0° |
C5 | C6 | C7 | H5 | 120.4° | 120.0° |
C6 | C5 | C4 | H1 | 53.4° | 60.0° |
C6 | C5 | H2 | H3 | 122.5° | 120.0° |
C5 | C6 | H4 | H5 | 118.7° | 120.0° |
C5 | C6 | C7 | H6 | 117.4° | 180.0° |
C5 | C6 | C7 | H7 | 123.8° | 60.0° |
C8 | C7 | C6 | H6 | 120.6° | 120.0° |
C8 | C7 | C6 | H7 | 120.6° | 120.1° |
C8 | C7 | C6 | H4 | 117.2° | 60.0° |
C8 | C7 | C6 | H5 | 123.6° | 180.0° |
C8 | C7 | H6 | H7 | 118.2° | 120.0° |
C7 | C8 | H8 | H9 | 118.9° | 120.0° |
C7 | C8 | C9 | H15 | 164.3° | 60.0° |
C7 | C8 | C9 | H16 | 76.2° | 180.0° |
C7 | C6 | C5 | H2 | 177.3° | 179.9° |
C7 | C6 | C5 | H3 | 61.0° | 60.0° |
C7 | C6 | H4 | H5 | 118.8° | 120.0° |
C6 | C7 | H6 | H7 | 118.2° | 120.0° |
C6 | C7 | C8 | H8 | 69.7° | 60.0° |
C6 | C7 | C8 | H9 | 171.0° | 180.0° |
H1 | C4 | C5 | H2 | 65.7° | 60.0° |
H1 | C4 | C5 | H3 | 172.5° | 180.0° |
H1 | C4 | N2 | H13 | 75.4° | 145.0° |
H1 | C4 | C9 | H15 | 134.7° | 179.9° |
H1 | C4 | C9 | H16 | 15.2° | 60.0° |
H2 | C5 | C6 | H4 | 56.9° | 60.1° |
H2 | C5 | C6 | H5 | 62.3° | 60.0° |
H3 | C5 | C6 | H4 | 178.6° | 180.0° |
H3 | C5 | C6 | H5 | 59.5° | 60.0° |
H4 | C6 | C7 | H6 | 122.2° | 60.0° |
H4 | C6 | C7 | H7 | 3.4° | 179.9° |
H5 | C6 | C7 | H6 | 3.0° | 60.0° |
H5 | C6 | C7 | H7 | 115.8° | 59.9° |
H6 | C7 | C8 | H8 | 50.9° | 60.0° |
H6 | C7 | C8 | H9 | 68.4° | 60.0° |
H7 | C7 | C8 | H8 | 169.7° | 180.0° |
H7 | C7 | C8 | H9 | 50.4° | 60.0° |
H8 | C8 | C9 | H15 | 43.9° | 180.0° |
H8 | C8 | C9 | H16 | 163.4° | 60.0° |
H9 | C8 | C9 | H15 | 75.3° | 60.0° |
H9 | C8 | C9 | H16 | 44.2° | 60.0° |
H10 | C | N1 | H17 | 0.8° | 0.1° |