G9O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O17 | N16 | sing | 1.42Å | 1.41Å | |
N16 | C14 | sing | 1.35Å | 1.35Å | |
C13 | C12 | sing | 1.53Å | 1.54Å | |
C13 | C14 | sing | 1.51Å | 1.51Å | |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C14 | O15 | doub | 1.21Å | 1.21Å | |
C11 | C10 | sing | 1.53Å | 1.53Å | |
C10 | C9 | sing | 1.53Å | 1.53Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C8 | C7 | sing | 1.53Å | 1.53Å | |
C7 | C6 | sing | 1.53Å | 1.53Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C6 | H13 | sing | 1.09Å | 1.10Å | |
C7 | H14 | sing | 1.09Å | 1.10Å | |
C7 | H15 | sing | 1.09Å | 1.10Å | |
C8 | H16 | sing | 1.09Å | 1.10Å | |
C8 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å | |
C9 | H19 | sing | 1.09Å | 1.10Å | |
C10 | H20 | sing | 1.09Å | 1.10Å | |
C10 | H21 | sing | 1.09Å | 1.10Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
C11 | H23 | sing | 1.09Å | 1.10Å | |
C12 | H24 | sing | 1.09Å | 1.10Å | |
C12 | H25 | sing | 1.09Å | 1.10Å | |
C13 | H26 | sing | 1.09Å | 1.10Å | |
C13 | H27 | sing | 1.09Å | 1.10Å | |
N16 | H28 | sing | 0.97Å | 1.00Å | |
O17 | H29 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O17 | N16 | C14 | 120.6° | 120.0° |
O17 | N16 | H28 | 119.7° | 120.0° |
N16 | O17 | H29 | 109.5° | 114.0° |
N16 | C14 | C13 | 121.4° | 120.0° |
N16 | C14 | O15 | 118.7° | 120.0° |
C14 | N16 | H28 | 119.7° | 120.0° |
C12 | C13 | C14 | 110.1° | 109.5° |
C13 | C12 | C11 | 110.7° | 109.5° |
C13 | C12 | H24 | 109.2° | 109.5° |
C13 | C12 | H25 | 109.1° | 109.5° |
C12 | C13 | H26 | 109.3° | 109.5° |
C12 | C13 | H27 | 109.3° | 109.5° |
C13 | C14 | O15 | 119.9° | 120.0° |
C14 | C13 | H26 | 109.3° | 109.5° |
C14 | C13 | H27 | 109.3° | 109.4° |
C12 | C11 | C10 | 110.0° | 109.5° |
C12 | C11 | H22 | 109.4° | 109.5° |
C12 | C11 | H23 | 109.3° | 109.4° |
C11 | C12 | H24 | 109.2° | 109.5° |
C11 | C12 | H25 | 109.2° | 109.5° |
C11 | C10 | C9 | 109.9° | 109.5° |
C11 | C10 | H20 | 109.4° | 109.5° |
C11 | C10 | H21 | 109.3° | 109.4° |
C10 | C11 | H22 | 109.3° | 109.5° |
C10 | C11 | H23 | 109.3° | 109.5° |
C10 | C9 | C8 | 110.2° | 109.5° |
C10 | C9 | H18 | 109.3° | 109.5° |
C10 | C9 | H19 | 109.3° | 109.5° |
C9 | C10 | H20 | 109.3° | 109.5° |
C9 | C10 | H21 | 109.4° | 109.5° |
C9 | C8 | C7 | 114.7° | 109.5° |
C9 | C8 | H16 | 108.1° | 109.5° |
C9 | C8 | H17 | 108.1° | 109.5° |
C8 | C9 | H18 | 109.3° | 109.5° |
C8 | C9 | H19 | 109.3° | 109.4° |
C8 | C7 | C6 | 113.6° | 109.5° |
C8 | C7 | H14 | 108.4° | 109.5° |
C8 | C7 | H15 | 108.4° | 109.4° |
C7 | C8 | H16 | 108.1° | 109.4° |
C7 | C8 | H17 | 108.1° | 109.4° |
C7 | C6 | C5 | 109.5° | 109.5° |
C7 | C6 | H12 | 109.5° | 109.5° |
C7 | C6 | H13 | 109.4° | 109.5° |
C6 | C7 | H14 | 108.5° | 109.6° |
C6 | C7 | H15 | 108.4° | 109.5° |
C6 | C5 | C4 | 107.3° | 109.5° |
C6 | C5 | H10 | 110.0° | 109.4° |
C6 | C5 | H11 | 110.0° | 109.4° |
C5 | C6 | H12 | 109.5° | 109.4° |
C5 | C6 | H13 | 109.5° | 109.4° |
C5 | C4 | C3 | 109.9° | 109.5° |
C5 | C4 | H8 | 109.4° | 109.5° |
C5 | C4 | H9 | 109.4° | 109.5° |
C4 | C5 | H10 | 110.0° | 109.5° |
C4 | C5 | H11 | 110.0° | 109.5° |
C4 | C3 | C2 | 110.9° | 109.5° |
C4 | C3 | H6 | 109.1° | 109.4° |
C4 | C3 | H7 | 109.1° | 109.4° |
C3 | C4 | H8 | 109.3° | 109.4° |
C3 | C4 | H9 | 109.4° | 109.4° |
C1 | C2 | C3 | 109.8° | 109.5° |
C2 | C1 | H1 | 109.5° | 109.4° |
C2 | C1 | H2 | 109.4° | 109.4° |
C2 | C1 | H3 | 109.5° | 109.4° |
C1 | C2 | H4 | 109.4° | 109.5° |
C1 | C2 | H5 | 109.4° | 109.5° |
C3 | C2 | H4 | 109.4° | 109.5° |
C3 | C2 | H5 | 109.4° | 109.4° |
C2 | C3 | H6 | 109.1° | 109.5° |
C2 | C3 | H7 | 109.1° | 109.5° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.5° |
H4 | C2 | H5 | 109.5° | 109.4° |
H6 | C3 | H7 | 109.5° | 109.5° |
H8 | C4 | H9 | 109.5° | 109.5° |
H10 | C5 | H11 | 109.5° | 109.5° |
H12 | C6 | H13 | 109.4° | 109.5° |
H14 | C7 | H15 | 109.5° | 109.4° |
H16 | C8 | H17 | 109.5° | 109.5° |
H18 | C9 | H19 | 109.5° | 109.4° |
H20 | C10 | H21 | 109.4° | 109.4° |
H22 | C11 | H23 | 109.5° | 109.4° |
H24 | C12 | H25 | 109.5° | 109.4° |
H26 | C13 | H27 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O17 | N16 | C14 | H28 | 180.0° | 179.9° |
O17 | N16 | C14 | C13 | 0.1° | 180.0° |
O17 | N16 | C14 | O15 | 179.8° | 0.1° |
N16 | C14 | C13 | C12 | 106.7° | 180.0° |
N16 | C14 | C13 | O15 | 179.7° | 179.9° |
N16 | C14 | C13 | H26 | 133.2° | 59.9° |
N16 | C14 | C13 | H27 | 13.4° | 60.0° |
C14 | N16 | O17 | H29 | 180.0° | 180.0° |
C12 | C13 | C14 | H26 | 120.1° | 120.1° |
C12 | C13 | C14 | H27 | 120.1° | 120.0° |
C13 | C12 | C11 | H24 | 120.2° | 120.0° |
C13 | C12 | C11 | H25 | 120.2° | 120.0° |
C12 | C13 | C14 | O15 | 73.5° | 0.1° |
C13 | C12 | C11 | C10 | 99.9° | 180.0° |
C13 | C12 | C11 | H22 | 140.0° | 59.9° |
C13 | C12 | C11 | H23 | 20.2° | 60.0° |
C13 | C12 | H24 | H25 | 119.4° | 120.0° |
C12 | C13 | H26 | H27 | 119.7° | 120.1° |
C14 | C13 | C12 | C11 | 132.2° | 180.0° |
C14 | C13 | C12 | H24 | 12.1° | 60.0° |
C14 | C13 | C12 | H25 | 107.6° | 60.0° |
C14 | C13 | H26 | H27 | 119.7° | 119.9° |
C13 | C14 | N16 | H28 | 179.9° | 0.1° |
C12 | C11 | C10 | H22 | 120.1° | 120.1° |
C12 | C11 | C10 | H23 | 120.1° | 120.0° |
C12 | C11 | C10 | C9 | 145.8° | 180.0° |
C12 | C11 | C10 | H20 | 25.7° | 59.9° |
C12 | C11 | C10 | H21 | 94.1° | 60.0° |
C12 | C11 | H22 | H23 | 119.7° | 119.9° |
C11 | C12 | H24 | H25 | 119.5° | 120.0° |
C11 | C12 | C13 | H26 | 12.2° | 60.0° |
C11 | C12 | C13 | H27 | 107.7° | 60.1° |
O15 | C14 | C13 | H26 | 46.6° | 120.0° |
O15 | C14 | C13 | H27 | 166.4° | 120.0° |
O15 | C14 | N16 | H28 | 0.2° | 180.0° |
C11 | C10 | C9 | H20 | 120.1° | 120.0° |
C11 | C10 | C9 | H21 | 120.1° | 120.0° |
C11 | C10 | C9 | C8 | 74.8° | 180.0° |
C11 | C10 | C9 | H18 | 45.3° | 59.9° |
C11 | C10 | C9 | H19 | 165.1° | 60.0° |
C11 | C10 | H20 | H21 | 119.8° | 119.9° |
C10 | C11 | H22 | H23 | 119.8° | 120.0° |
C10 | C11 | C12 | H24 | 20.3° | 60.0° |
C10 | C11 | C12 | H25 | 139.9° | 60.0° |
C10 | C9 | C8 | H18 | 120.1° | 120.1° |
C10 | C9 | C8 | H19 | 120.1° | 120.0° |
C10 | C9 | C8 | C7 | 112.5° | 180.0° |
C10 | C9 | C8 | H16 | 8.3° | 60.0° |
C10 | C9 | C8 | H17 | 126.7° | 60.1° |
C10 | C9 | H18 | H19 | 119.7° | 120.0° |
C9 | C10 | H20 | H21 | 119.8° | 120.0° |
C9 | C10 | C11 | H22 | 94.1° | 59.9° |
C9 | C10 | C11 | H23 | 25.7° | 60.0° |
C9 | C8 | C7 | H16 | 120.8° | 120.0° |
C9 | C8 | C7 | H17 | 120.8° | 120.0° |
C9 | C8 | C7 | C6 | 25.0° | 180.0° |
C9 | C8 | C7 | H14 | 145.6° | 59.9° |
C9 | C8 | C7 | H15 | 95.6° | 60.0° |
C9 | C8 | H16 | H17 | 117.6° | 120.1° |
C8 | C9 | H18 | H19 | 119.7° | 120.0° |
C8 | C9 | C10 | H20 | 165.2° | 60.0° |
C8 | C9 | C10 | H21 | 45.3° | 60.0° |
C8 | C7 | C6 | H14 | 120.6° | 120.0° |
C8 | C7 | C6 | H15 | 120.6° | 119.9° |
C8 | C7 | C6 | C5 | 178.3° | 180.0° |
C8 | C7 | C6 | H12 | 61.6° | 60.0° |
C8 | C7 | C6 | H13 | 58.3° | 60.1° |
C8 | C7 | H14 | H15 | 118.1° | 119.9° |
C7 | C8 | H16 | H17 | 117.6° | 119.9° |
C7 | C8 | C9 | H18 | 127.4° | 59.9° |
C7 | C8 | C9 | H19 | 7.6° | 60.0° |
C7 | C6 | C5 | H12 | 120.0° | 120.1° |
C7 | C6 | C5 | H13 | 120.0° | 120.0° |
C7 | C6 | C5 | C4 | 156.3° | 180.0° |
C7 | C6 | C5 | H10 | 84.1° | 60.0° |
C7 | C6 | C5 | H11 | 36.6° | 60.0° |
C7 | C6 | H12 | H13 | 119.9° | 120.1° |
C6 | C7 | H14 | H15 | 118.1° | 120.1° |
C6 | C7 | C8 | H16 | 95.8° | 60.0° |
C6 | C7 | C8 | H17 | 145.8° | 60.0° |
C6 | C5 | C4 | H10 | 119.7° | 120.0° |
C6 | C5 | C4 | H11 | 119.7° | 119.9° |
C6 | C5 | C4 | C3 | 169.1° | 180.0° |
C6 | C5 | C4 | H8 | 70.9° | 60.0° |
C6 | C5 | C4 | H9 | 49.0° | 60.1° |
C6 | C5 | H10 | H11 | 121.0° | 119.9° |
C5 | C6 | H12 | H13 | 120.0° | 119.9° |
C5 | C6 | C7 | H14 | 57.7° | 60.0° |
C5 | C6 | C7 | H15 | 61.1° | 60.1° |
C5 | C4 | C3 | H8 | 120.1° | 120.1° |
C5 | C4 | C3 | H9 | 120.1° | 120.0° |
C5 | C4 | C3 | C2 | 108.6° | 180.0° |
C5 | C4 | C3 | H6 | 11.6° | 60.0° |
C5 | C4 | C3 | H7 | 131.2° | 60.0° |
C5 | C4 | H8 | H9 | 119.8° | 120.1° |
C4 | C5 | H10 | H11 | 121.0° | 120.1° |
C4 | C5 | C6 | H12 | 36.3° | 59.9° |
C4 | C5 | C6 | H13 | 83.7° | 60.0° |
C4 | C3 | C2 | C1 | 71.1° | 180.0° |
C4 | C3 | C2 | H6 | 120.2° | 120.0° |
C4 | C3 | C2 | H7 | 120.2° | 119.9° |
C4 | C3 | C2 | H4 | 48.9° | 59.9° |
C4 | C3 | C2 | H5 | 168.8° | 60.0° |
C4 | C3 | H6 | H7 | 119.3° | 119.9° |
C3 | C4 | H8 | H9 | 119.8° | 119.9° |
C3 | C4 | C5 | H10 | 49.4° | 60.0° |
C3 | C4 | C5 | H11 | 71.3° | 60.1° |
C1 | C2 | C3 | H4 | 120.1° | 120.1° |
C1 | C2 | C3 | H5 | 120.0° | 120.0° |
C2 | C1 | H1 | H2 | 120.0° | 120.0° |
C2 | C1 | H1 | H3 | 120.0° | 119.9° |
C2 | C1 | H2 | H3 | 120.0° | 119.9° |
C1 | C2 | H4 | H5 | 119.9° | 120.0° |
C1 | C2 | C3 | H6 | 49.1° | 60.0° |
C1 | C2 | C3 | H7 | 168.7° | 60.1° |
C3 | C2 | C1 | H1 | 180.0° | 60.0° |
C3 | C2 | C1 | H2 | 60.0° | 180.0° |
C3 | C2 | C1 | H3 | 60.0° | 60.0° |
C3 | C2 | H4 | H5 | 119.9° | 120.0° |
C2 | C3 | H6 | H7 | 119.3° | 120.1° |
C2 | C3 | C4 | H8 | 131.3° | 59.9° |
C2 | C3 | C4 | H9 | 11.5° | 60.0° |
H1 | C1 | H2 | H3 | 120.0° | 120.1° |
H1 | C1 | C2 | H4 | 59.9° | 180.0° |
H1 | C1 | C2 | H5 | 60.0° | 60.0° |
H2 | C1 | C2 | H4 | 60.1° | 59.9° |
H2 | C1 | C2 | H5 | 180.0° | 60.0° |
H3 | C1 | C2 | H4 | 179.9° | 60.0° |
H3 | C1 | C2 | H5 | 60.0° | 180.0° |
H4 | C2 | C3 | H6 | 169.2° | 179.9° |
H4 | C2 | C3 | H7 | 71.3° | 60.0° |
H5 | C2 | C3 | H6 | 70.9° | 60.0° |
H5 | C2 | C3 | H7 | 48.6° | 179.9° |
H6 | C3 | C4 | H8 | 108.5° | 180.0° |
H6 | C3 | C4 | H9 | 131.7° | 60.0° |
H7 | C3 | C4 | H8 | 11.1° | 60.0° |
H7 | C3 | C4 | H9 | 108.7° | 180.0° |
H8 | C4 | C5 | H10 | 169.5° | 180.0° |
H8 | C4 | C5 | H11 | 48.8° | 59.9° |
H9 | C4 | C5 | H10 | 70.7° | 59.9° |
H9 | C4 | C5 | H11 | 168.6° | NaN° |
H10 | C5 | C6 | H12 | 155.9° | 180.0° |
H10 | C5 | C6 | H13 | 35.9° | 60.0° |
H11 | C5 | C6 | H12 | 83.4° | 60.0° |
H11 | C5 | C6 | H13 | 156.6° | 180.0° |
H12 | C6 | C7 | H14 | 177.8° | 180.0° |
H12 | C6 | C7 | H15 | 59.0° | 59.9° |
H13 | C6 | C7 | H14 | 62.3° | 59.9° |
H13 | C6 | C7 | H15 | 178.9° | 180.0° |
H14 | C7 | C8 | H16 | 24.9° | 179.9° |
H14 | C7 | C8 | H17 | 93.6° | 60.0° |
H15 | C7 | C8 | H16 | 143.6° | 60.0° |
H15 | C7 | C8 | H17 | 25.2° | 180.0° |
H16 | C8 | C9 | H18 | 111.8° | 179.9° |
H16 | C8 | C9 | H19 | 128.4° | 60.0° |
H17 | C8 | C9 | H18 | 6.6° | 60.0° |
H17 | C8 | C9 | H19 | 113.2° | 179.9° |
H18 | C9 | C10 | H20 | 74.7° | 180.0° |
H18 | C9 | C10 | H21 | 165.4° | 60.1° |
H19 | C9 | C10 | H20 | 45.0° | 60.0° |
H19 | C9 | C10 | H21 | 74.8° | 180.0° |
H20 | C10 | C11 | H22 | 145.8° | 180.0° |
H20 | C10 | C11 | H23 | 94.3° | 60.0° |
H21 | C10 | C11 | H22 | 26.0° | 60.1° |
H21 | C10 | C11 | H23 | 145.8° | 179.9° |
H22 | C11 | C12 | H24 | 99.8° | 179.9° |
H22 | C11 | C12 | H25 | 19.9° | 60.1° |
H23 | C11 | C12 | H24 | 140.4° | 60.0° |
H23 | C11 | C12 | H25 | 100.0° | 180.0° |
H24 | C12 | C13 | H26 | 108.0° | 180.0° |
H24 | C12 | C13 | H27 | 132.2° | 60.0° |
H25 | C12 | C13 | H26 | 132.3° | 60.0° |
H25 | C12 | C13 | H27 | 12.5° | 179.9° |
H28 | N16 | O17 | H29 | 0.0° | 0.1° |